Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RHEB | Q15382 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 2/20 | 0.35 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7710170 | 0.87 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14753471 | 0.84 | MEN1 (0.40) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7714695 | 0.81 | KDM4E (0.45) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7712958 | 0.80 | RHEB (0.39) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14739328 | 0.78 | RHEB (0.53) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14753494 | 0.78 | MEN1 (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14740522 | 0.78 | GRM5 (0.48) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7708616 | 0.77 | ALK (0.43) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27906146 | 0.77 | TUBB4A (0.49) | ALDH1A1KDM4ERHEBL3MBTL1GSK3A | |
| SCHEMBL7705773 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 |
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-2011140164-A1 | AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH | MERCK SHARP & DOHME CORP. (US) | 2011-11-10 | — | — | WO | disclosed |