Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2020140 | 0.82 | ABL1 (0.59) | ALDH1A1ADORA2AADORA1BRD4CYP1A2 | |
| SCHEMBL28039655 | 0.80 | ALDH1A1 (0.49) | ALDH1A1KDM4EKMT2ANPSR1L3MBTL1 | |
| SCHEMBL5106000 | 0.78 | ALDH1A1 (0.64) | ALDH1A1KDM4EKMT2ANPSR1L3MBTL1 | |
| SCHEMBL5213566 | 0.78 | HSP90AA1 (0.62) | ALDH1A1KDM4EKMT2ANPSR1L3MBTL1 | |
| SCHEMBL13211663 | 0.78 | ABL1 (0.60) | ALDH1A1ADORA2AADORA1BRD4CYP1A2 | |
| SCHEMBL3455245 | 0.78 | ABL1 (0.60) | ALDH1A1KDM4EL3MBTL1ADORA2AADORA1 | |
| SCHEMBL28036144 | 0.77 | CASR (0.58) | ALDH1A1KDM4EKMT2AADORA2AADORA1 | |
| SCHEMBL30516664 | 0.77 | CASR (0.58) | ALDH1A1KDM4EKMT2AADORA2AADORA1 | |
| SCHEMBL5849737 | 0.75 | CYP1A1 (0.65) | KDM4EKMT2AL3MBTL1BRD4CYP1A2 | |
| SCHEMBL321834 | 0.75 | CASR (0.57) | ALDH1A1ADORA2AADORA1BRD4CYP1A2 |
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-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |