Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31268500 | 1.00 | HPGD (0.46) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL30615583 | 0.78 | GABRP (0.53) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL27192148 | 0.74 | AURKA (0.41) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL29326246 | 0.72 | METAP2 (0.43) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL27377725 | 0.71 | METAP2 (0.43) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL30615353 | 0.69 | CDK5 (0.49) | MAPTPARP1DAOGABRPGABRD | |
| SCHEMBL29326265 | 0.69 | PTGES (0.46) | HPGDCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL28429237 | 0.69 | CYP1A2 (0.59) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL31509783 | 0.68 | HTT (0.45) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL15552861 | 0.67 | DAO (0.45) | HPGDCYP1A2CYP3A4ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3873884-B1 | 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | GILEAD SCIENCES INC (US) | 2024-12-04 | — | — | EP | disclosed |