Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SETDB1 | Q15047 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14204990 | 0.90 | SETDB1 (0.59) | SETDB1MTNR1ANPSR1MTNR1BNQO2 | |
| SCHEMBL14651452 | 0.84 | SETDB1 (0.54) | SETDB1MTNR1ANPSR1MTNR1BNQO2 | |
| SCHEMBL4887935 | 0.82 | CYP1A2 (0.61) | NPC1RAB9AHPGDALDH1A1CYP2D6 | |
| SCHEMBL8528165 | 0.82 | MTNR1A (0.49) | MTNR1ANPSR1NPC1RAB9AHPGD | |
| SCHEMBL29675775 | 0.82 | SETDB1 (0.53) | SETDB1MTNR1ANPSR1MTNR1BNQO2 | |
| Hydrochloric Acid SCHEMBL17258977 | 0.81 | CYP1A2 (0.59) | NPC1RAB9AHPGDALDH1A1CYP2D6 | |
| SCHEMBL10416108 | 0.81 | HPGD (0.57) | SETDB1MTNR1ANPSR1MTNR1BNQO2 | |
| SCHEMBL10781973 | 0.81 | SETDB1 (0.51) | SETDB1MTNR1ANPSR1MTNR1BNQO2 | |
| SCHEMBL17123628 | 0.81 | SETDB1 (0.51) | SETDB1MTNR1ANPSR1MTNR1BNQO2 | |
| SCHEMBL9861860 | 0.81 | SETDB1 (0.51) | SETDB1MTNR1ANPSR1MTNR1BNQO2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210070798-A1 | Inhibitors of E1 activating enzymes | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-03-11 | — | — | US | disclosed |
| US-20180086785-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | MILLENNIUM PHARMACEUTICALS, INC. | 2018-03-29 | — | — | US | disclosed |
| US-20170073367-A9 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | MILLENIUM PHARMACEUTICALS, INC. | 2017-03-16 | — | — | US | disclosed |
| US-20160194348-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | MILLENNIUM PHARM INC (US) | 2016-07-07 | — | — | US | disclosed |
| CN-104884437-A | Substituted tolyl fungicides | DU PONT | 2015-09-02 | — | — | CN | disclosed |
| US-20140256668-A9 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20130338094-A1 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-12-19 | — | — | US | disclosed |
| EP-1848718-B1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2012-08-01 | — | — | EP | disclosed |
| US-20110136834-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-06-09 | — | — | US | disclosed |
| US-7951810-B2 | Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20060189636-A1 | Inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-08-24 | — | — | 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-20180086785-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | TYMP, TYMS, PPA1 | SETDB1 3975/4885MTNR1A 2606/4885NPSR1 3483/4885 |
| US-20170073367-A9 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | TYMP, TYMS, PPA1 | SETDB1 3975/4885MTNR1A 2606/4885NPSR1 3483/4885 |
| US-20110136834-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | ECE1, RNASE1, RCE1 | SETDB1 4457/4885MTNR1A 2132/4885NPSR1 4058/4885 |
| US-20140256668-A9 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | DPYD, CCND3, POLD3 | SETDB1 2702/4885MTNR1A 1593/4885NPSR1 909/4885 |
| US-20160194348-A1 | SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES | TYMP, TYMS, PPA1 | SETDB1 3975/4885MTNR1A 2606/4885NPSR1 3483/4885 |
| US-20210070798-A1 | Inhibitors of E1 activating enzymes | ECE1, RNASE1, RCE1 | SETDB1 4457/4885MTNR1A 2132/4885NPSR1 4058/4885 |
| US-20130338094-A1 | SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES | DPYD, CCND3, POLD3 | SETDB1 2702/4885MTNR1A 1593/4885NPSR1 909/4885 |
| US-20060189636-A1 | Inhibitors of E1 activating enzymes | ECE1, RNASE1, RCE1 | SETDB1 4457/4885MTNR1A 2132/4885NPSR1 4058/4885 |
“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.