Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22479791 | 0.88 | MAOA (0.48) | KDM4ECYP2A6MAOAMAOBTYMS | |
| SCHEMBL5541367 | 0.76 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL389461 | 0.74 | PARP1 (0.56) | ALDH1A1KDM4EHPGDGAAMAOA | |
| SCHEMBL30538 | 0.74 | SRD5A1 (0.53) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL15241748 | 0.74 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL163925 | 0.74 | PARP10 (0.56) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL2480404 | 0.74 | PARP1 (0.56) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL15386452 | 0.74 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL163780 | 0.74 | PARP1 (0.56) | ALDH1A1KDM4EHPGDGAACYP2A6 | |
| SCHEMBL29495011 | 0.74 | PARP1 (0.56) | ALDH1A1KDM4EHPGDGAACYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2356093-B1 | Carbazole compounds and therapeutic uses of the compounds | INCURON LLC (RU) | 2013-01-09 | — | — | EP | disclosed |
| WO-2010126914-A1 | PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS | ELAN PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |