Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL893601 | 0.86 | PDPK1 (0.44) | EPHX2PPARGLMNAPPARA | |
| SCHEMBL5642476 | 0.86 | PDPK1 (0.44) | EPHX2PPARGLMNAPPARA | |
| SCHEMBL5640880 | 0.86 | PDPK1 (0.44) | EPHX2PPARGLMNAPPARA | |
| Hydrochloric Acid SCHEMBL8847169 | 0.85 | PDPK1 (0.43) | EPHX2PPARGLMNAPPARA | |
| Hydrochloric Acid SCHEMBL668327 | 0.85 | PDPK1 (0.43) | EPHX2PPARGLMNAPPARA | |
| SCHEMBL24327731 | 0.79 | HPGD (0.49) | CYP2C9CYP2C19PPARGNPSR1MEN1 | |
| SCHEMBL17295981 | 0.79 | HPGD (0.49) | CYP2C9CYP2C19PPARGNPSR1MEN1 | |
| SCHEMBL909293 | 0.77 | PPARG (0.40) | PPARGNPSR1HPGDPPARASLC6A4 | |
| SCHEMBL8081315 | 0.76 | GSK3B (0.45) | LMNAMAPTSMN1; SMN2 | |
| SCHEMBL6388936 | 0.75 | HPGD (0.37) | CYP2C19PPARGNPSR1MEN1KMT2A |
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 |