Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | CASP1 | P29466 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | CASP7 | P55210 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13510686 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CYP1A2HSD17B10MAPK1CYP3A4 | |
| SCHEMBL13509083 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CYP1A2HSD17B10MAPK1CYP3A4 | |
| SCHEMBL8215862 | 0.81 | KDR (0.48) | HSD17B10MEN1KMT2AGRM5HPGD | |
| SCHEMBL8205966 | 0.80 | KMT2A (0.48) | ALDH1A1HSD17B10MAPK1CASP1USP2 | |
| SCHEMBL8218208 | 0.77 | KDM4E (0.61) | ALDH1A1MAPTMEN1KMT2AATM | |
| SCHEMBL16225052 | 0.73 | ALOX5AP (0.49) | ALDH1A1CYP1A2HSD17B10CASP1MAPT | |
| SCHEMBL2325961 | 0.72 | ADORA2A (0.65) | — | |
| SCHEMBL8214146 | 0.70 | NUDT14 (0.50) | ALDH1A1MAPTTSHRKDM4ELMNA | |
| SCHEMBL8206858 | 0.70 | KDM4E (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15958639 | 0.70 | KDM4E (0.51) | ALDH1A1CYP1A2HSD17B10MAPK1CASP1 |
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-2008021960-A2 | TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |