Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GALR3 | O60755 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17540367 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL16581274 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL28367456 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL16122531 | 0.79 | METAP2 (0.45) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL16127310 | 0.78 | TRPV4 (0.38) | KDM4ECYP11B1CYP11B2TSHRAR | |
| SCHEMBL16122651 | 0.78 | ESR2 (0.43) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL16122536 | 0.77 | DHODH (0.45) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL11840754 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL16122525 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL16122477 | 0.76 | ADORA2A (0.44) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015191677-A1 | BICYCLIC HETEROARYLAMINOALKYL PHENYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2015-12-17 | — | — | WO | disclosed |