Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | HTT | P42858 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.60 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | GSR | P00390 | 2/20 | 0.55 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16421959 | 0.86 | KDM4E (0.73) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL8268180 | 0.86 | KDM4E (0.67) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL14648187 | 0.84 | KDM4E (0.79) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL28287010 | 0.82 | KDM4E (0.78) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL3976738 | 0.80 | KDM4E (0.65) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL7691568 | 0.80 | KDM4E (0.57) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL4288066 | 0.79 | KDM4E (0.65) | KDM4EHSD17B10ALDH1A1HPGDLMNA | |
| SCHEMBL3976739 | 0.77 | KDM4E (0.61) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL31588202 | 0.77 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL29249922 | 0.77 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDHTT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601192-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICALS CO (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-9029536-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-04 | — | — | US | disclosed |
| US-7452912-B2 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20040029873-A1 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-02-12 | — | — | US | disclosed |
| US-6545003-B1 | Treating asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. | ELAN PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1147091-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043371-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | 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 (2 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-20040029873-A1 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, LTB4R | KDM4E 2816/4885HSD17B10 1197/4885ALDH1A1 362/4885 |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | PDE10A, PDE3A, PDE2A | KDM4E 1619/4885HSD17B10 140/4885ALDH1A1 270/4885 |
“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.