Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 20/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 19/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 18/20 | 0.65 |
| ▸ | LMNA | P02545 | 6/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.64 |
| ▸ | USP2 | O75604 | 17/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.64 |
| ▸ | MEN1 | O00255 | 5/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | HBB | P68871 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4347607 | 0.84 | ADORA2A (0.64) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL9761791 | 0.78 | LMNA (0.59) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| Bromide SCHEMBL9564796 | 0.74 | NR4A2 (0.54) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL4358173 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL4358177 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL4343779 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| 9-Benzyl-9H-Purine SCHEMBL434620 | 0.72 | HDAC1 (0.61) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL9483669 | 0.72 | ALDH1A1 (0.59) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL15156835 | 0.71 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL1169953 | 0.70 | LMNA (0.70) | CYP1A2CYP2C9CYP2C19LMNAALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9718788-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170050935-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-02-23 | — | — | US | disclosed |
| US-9458108-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160039761-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-02-11 | — | — | US | disclosed |
| US-9150525-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-20150183753-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-02 | — | — | US | disclosed |
| US-8901136-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-12-02 | — | — | US | disclosed |
| US-20140303193-A9 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-10-09 | — | — | US | disclosed |
| US-20130345242-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-12-26 | — | — | US | disclosed |
| US-8481550-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-20120071482-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-8008307-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-08-30 | — | — | US | disclosed |
| EP-2049491-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2010-10-20 | — | — | EP | disclosed |
| EP-2049491-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-22 | — | — | EP | disclosed |
| US-20080051404-A1 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-02-28 | — | — | US | disclosed |
| WO-2008019124-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |
| US-20070197528-A1 | analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine | GRUENENTHAL GMBH (DE) | 2007-08-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150183753-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
| US-20120071482-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
| US-20130345242-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
| US-20080051404-A1 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
| US-20140303193-A9 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
| US-20070197528-A1 | analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine | TPMT, NLN, NNMT | CYP1A2 1182/4885CYP2C9 721/4885CYP2C19 1635/4885 |
| US-20170050935-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
| US-20160039761-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | RCE1, ECE1, UBE2E1 | CYP1A2 952/4885CYP2C9 2671/4885CYP2C19 2582/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.