Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 5/20 | 0.81 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.81 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.81 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.75 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.75 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.75 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL7309761 | 0.93 | OXTR (0.69) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7309524 | 0.92 | OXTR (0.81) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7334929 | 0.92 | OXTR (0.81) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7303905 | 0.92 | OXTR (0.69) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7306930 | 0.91 | OXTR (0.80) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7330545 | 0.91 | OXTR (0.80) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7302900 | 0.90 | OXTR (1.00) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7302934 | 0.89 | OXTR (0.76) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7313655 | 0.88 | OXTR (0.86) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7308336 | 0.88 | OXTR (0.86) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686454-A | PREVENTING LABOR, VASODILATION, DIURESIS, HYPOTENSIVE AGENTS, ANTICOAGULANTS, TREATING DYSMENORRHEA | MERCK & CO., INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5648352-A | STOPPING LABOR | MERCK & CO., INC. (US) | 1997-07-15 | — | — | US | disclosed |
| WO-1995002587-A1 | SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |
| WO-1993006092-A1 | PIPERAZINYL (SULFONYL)AMIDE DERIVATIVES OF CAMPHOR AS OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1993-04-01 | — | — | WO | disclosed |
| EP-0532097-A1 | Piperazinyl(sulfon)amide derivatives of camphor as oxytocin antagonists | MERCK & CO. INC. (US) | 1993-03-17 | — | — | EP | disclosed |