Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | MC3R | P41968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14730753 | 1.00 | RECQL (0.50) | RECQLGAAKDM5ACYP3A4HIF1A | |
| SCHEMBL13198908 | 0.92 | RECQL (0.62) | RECQLGAACYP3A4HIF1AUSP2 | |
| SCHEMBL17546317 | 0.91 | CYP3A4 (0.53) | GAACYP3A4HIF1AUSP2CYP2D6 | |
| SCHEMBL21712549 | 0.81 | ATM (0.56) | RECQLKDM5AALDH1A1HPGDADRA1A | |
| SCHEMBL14197785 | 0.79 | L3MBTL1 (0.64) | RECQLKDM5AALDH1A1MEN1KMT2A | |
| SCHEMBL17540509 | 0.78 | CYP2D6 (0.55) | GAAKDM5ACYP3A4HIF1AUSP2 | |
| SCHEMBL30718119 | 0.78 | NPC1 (0.59) | GAACYP3A4HIF1AUSP2CYP2D6 | |
| SCHEMBL26981194 | 0.78 | NPC1 (0.59) | GAACYP3A4HIF1AUSP2CYP2D6 | |
| SCHEMBL4511009 | 0.78 | CYP3A4 (0.52) | GAACYP3A4HIF1AUSP2KDM4E | |
| SCHEMBL24114341 | 0.77 | RECQL (0.45) | RECQLALDH1A1HPGDTSHR |
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-2013026162-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-02-28 | — | — | WO | disclosed |