Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
| ▸ | PPARD | Q03181 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20576236 | 0.87 | HDAC3 (0.53) | PPARGPPARDPPARACYP1A2CYP2C9 | |
| SCHEMBL7341566 | 0.84 | PTGDR2 (0.48) | PPARGPPARDPPARAHTTKDM4E | |
| SCHEMBL8088577 | 0.81 | L3MBTL1 (0.44) | PPARDCYP1A2CYP2C9ALDH1A1HTT | |
| SCHEMBL2858243 | 0.80 | CES2 (0.47) | PPARGPPARDPPARAALDH1A1HDAC3 | |
| SCHEMBL15524132 | 0.78 | PPARG (0.44) | PPARGPPARDPPARACYP1A2CYP2C9 | |
| SCHEMBL29331520 | 0.78 | RXRA (0.51) | PPARGPPARDPPARACYP1A2CYP2C9 | |
| SCHEMBL7040523 | 0.78 | ALDH1A1 (0.44) | PPARGPPARDPPARACYP1A2CYP2C9 | |
| SCHEMBL18075562 | 0.77 | IDO1 (0.50) | PPARGPPARDPPARAALDH1A1KDM4E | |
| SCHEMBL27757329 | 0.77 | ANO1 (0.49) | PPARGPPARDPPARAALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7334841 | 0.76 | CYP1A2 (0.47) | PPARGPPARDPPARACYP1A2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |