Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8173265 | 0.91 | ABCB1 (0.50) | KDM4ENPC1RAB9AALDH1A1GAA | |
| SCHEMBL9714633 | 0.85 | ALDH1A1 (0.56) | KDM4EALDH1A1ABCB1CTSDMAPT | |
| SCHEMBL9714635 | 0.82 | POLB (0.63) | ALDH1A1ABCB1CTSDCYP3A4CYP2C9 | |
| SCHEMBL9815860 | 0.81 | ABCB1 (0.45) | ABCB1 | |
| SCHEMBL9510595 | 0.81 | ABCB1 (0.45) | KDM4EALDH1A1ABCB1 | |
| SCHEMBL9815833 | 0.79 | ABCB1 (0.66) | KDM4ENPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9714479 | 0.79 | ABCB1 (0.55) | KDM4ENPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9815886 | 0.79 | CTNNB1 (0.52) | GAAABCB1 | |
| SCHEMBL8173237 | 0.78 | POLB (0.68) | CYP3A4CYP2C9 | |
| SCHEMBL10719126 | 0.78 | ABCB1 (0.50) | NPC1RAB9AALDH1A1ABCB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0361645-B1 | ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE | ROHM AND HAAS COMPANY (US) | 1993-09-29 | — | — | EP | disclosed |
| EP-0253468-B1 | SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES | ROHM AND HAAS COMPANY (US) | 1991-11-06 | — | — | EP | disclosed |
| EP-0361645-A2 | Organic hydrazine derivatives for pharmaceutical use | ROHM AND HAAS COMPANY (US) | 1990-04-04 | — | — | EP | disclosed |