Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCND3 | P30281 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14019140 | 0.84 | MAOA (0.38) | ALDH1A1CYP1A2CYP2C9TP53HPGD | |
| SCHEMBL14019137 | 0.76 | BRD4 (0.45) | ALDH1A1USP2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4013991 | 0.69 | MAPK14 (0.49) | ALDH1A1NPC1RAB9ABRD4HTT | |
| SCHEMBL4067948 | 0.67 | TTK (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CASP1 | |
| SCHEMBL13923950 | 0.65 | KDR (0.59) | ALDH1A1TTKKDM4ENPC1TP53 | |
| SCHEMBL14019142 | 0.64 | BRPF1 (0.42) | ALDH1A1CYP1A2BRD4HTTMAOA | |
| SCHEMBL19873777 | 0.64 | BRD4 (0.43) | FGFR1HPGDBRD4HTTMAOA | |
| SCHEMBL8502222 | 0.63 | HTT (0.48) | ALDH1A1CYP1A2NPC1RAB9AFGFR1 | |
| SCHEMBL14015023 | 0.62 | KDM4E (0.58) | ALDH1A1TTKKDM4ENPC1TP53 | |
| SCHEMBL11307051 | 0.62 | KDM4E (0.45) | ALDH1A1TTKKDM4ENPC1TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7435731-B2 | Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same | ROCHE PALO ALTO LLC (US) | 2008-10-14 | — | — | US | disclosed |