Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | CBFB | Q13951 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27717739 | 0.93 | AHR (0.62) | AHRALDH1A1NPC1CTNNB1WNT3A | |
| Pyridine SCHEMBL28523686 | 0.86 | AHR (0.72) | AHRNPC1CTNNB1WNT3ACYP19A1 | |
| Quinoline SCHEMBL27940258 | 0.85 | ALDH1A1 (0.53) | AHRALDH1A1NPC1CTNNB1WNT3A | |
| Quinoline SCHEMBL27713201 | 0.82 | AHR (0.62) | AHRALDH1A1NPC1METAP2METAP1 | |
| Quinoline SCHEMBL28296221 | 0.79 | NPC1 (0.69) | ALDH1A1NPC1CA1CA2CYP17A1 | |
| Quinoline SCHEMBL28816675 | 0.77 | ALDH1A1 (0.63) | AHRALDH1A1NPC1CTNNB1WNT3A | |
| Quinoline SCHEMBL28292512 | 0.77 | ALDH1A1 (0.63) | AHRALDH1A1NPC1CTNNB1WNT3A | |
| Quinoline SCHEMBL843861 | 0.77 | ALDH1A1 (0.63) | AHRALDH1A1NPC1CTNNB1WNT3A | |
| Quinoline SCHEMBL28073739 | 0.77 | ALDH1A1 (0.63) | AHRALDH1A1NPC1CTNNB1WNT3A | |
| Quinoline SCHEMBL29042459 | 0.77 | ALDH1A1 (0.58) | AHRALDH1A1NPC1CTNNB1WNT3A |
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-107995910-A | The inhibitor of human immunodeficiency virus replication | VIIV保健英国第五有限公司 | 2018-05-04 | — | — | CN | disclosed |