Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4397001 | 0.79 | NOS1 (0.32) | SMN1; SMN2CYP2C9 | |
| SCHEMBL4409372 | 0.73 | — | — | |
| SCHEMBL4397674 | 0.73 | PLAU (0.33) | SMN1; SMN2 | |
| SCHEMBL10321126 | 0.72 | CYP1A2 (0.41) | ALDH1A1CYP11B1CYP11B2CYP17A1EGFR | |
| SCHEMBL4411598 | 0.71 | CCR1 (0.31) | — | |
| SCHEMBL4405857 | 0.68 | HTT (0.31) | — | |
| SCHEMBL4399733 | 0.68 | PLAU (0.32) | — | |
| SCHEMBL19776056 | 0.68 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2EGFRNPC1RAB9A | |
| SCHEMBL17913437 | 0.67 | PDGFRB (0.50) | ALDH1A1KDM4EEGFRF2GLA | |
| SCHEMBL27759682 | 0.66 | CHRNB2 (0.43) | ALDH1A1KDM4ESMN1; SMN2RAB9A |
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-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |