Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | DUSP4 | Q13115 | 1/20 | 0.39 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29663058 | 0.84 | ALDH1A1 (0.54) | TGFBR1CYP3A4ALDH1A1KDM4EMAPT | |
| Quinoline SCHEMBL9745228 | 0.81 | ALDH1A1 (0.65) | METAP2CYP3A4ALDH1A1DUSP4PTP4A1 | |
| SCHEMBL31418349 | 0.80 | RAB9A (0.55) | TGFBR1METAP2CYP3A4ALDH1A1DUSP4 | |
| SCHEMBL11992044 | 0.79 | TGFBR1 (0.60) | TGFBR1METAP2CYP3A4ALDH1A1KDM4E | |
| SCHEMBL21352271 | 0.79 | KDM4E (0.52) | TGFBR1CYP3A4ALDH1A1KDM4EMAPT | |
| Quinoline SCHEMBL29030603 | 0.76 | ALDH1A1 (0.57) | METAP2CYP3A4ALDH1A1DUSP4PTP4A1 | |
| SCHEMBL22824613 | 0.75 | MIF (0.43) | METAP2CYP3A4ALDH1A1DUSP4PTP4A1 | |
| SCHEMBL30433854 | 0.75 | MIF (0.43) | METAP2CYP3A4ALDH1A1DUSP4PTP4A1 | |
| SCHEMBL29661993 | 0.74 | CCR1 (0.56) | METAP2CYP3A4CYP2A6PIK3CDPIK3CA | |
| SCHEMBL20169510 | 0.74 | CCR1 (0.56) | METAP2CYP3A4CYP2A6PIK3CDPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| CN-114728941-A | Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors | 施万生物制药研发IP有限责任公司 | 2022-07-08 | — | — | CN | disclosed |