Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | EIF4A1 | P60842 | 7/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | GABRE | P78334 | 1/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9568711 | 0.86 | HTT (0.45) | HTTTP53AKR1B1EIF4A1LMNA | |
| SCHEMBL9676766 | 0.82 | HTT (0.44) | HTTTP53AKR1B1LMNAALDH1A1 | |
| SCHEMBL5490141 | 0.81 | TP53 (0.56) | HTTTP53EIF4A1LMNAALOX12 | |
| SCHEMBL3391556 | 0.81 | ALDH1A1 (0.53) | HTTTP53EIF4A1GABRPGABRD | |
| SCHEMBL2049816 | 0.81 | HTT (0.46) | HTTLMNAALOX12ALDH1A1TDP1 | |
| SCHEMBL9679692 | 0.81 | ESR1 (0.43) | HTTTP53AKR1B1LMNAALDH1A1 | |
| SCHEMBL8646438 | 0.81 | ESR1 (0.43) | HTTTP53AKR1B1LMNAALDH1A1 | |
| SCHEMBL5695814 | 0.81 | ESR1 (0.43) | HTTTP53AKR1B1LMNAALDH1A1 | |
| SCHEMBL9678240 | 0.81 | ESR1 (0.43) | HTTTP53AKR1B1LMNAALDH1A1 | |
| SCHEMBL9678182 | 0.81 | ESR1 (0.43) | HTTTP53AKR1B1LMNAALDH1A1 |
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 |