Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 5/20 | 0.76 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.76 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.76 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.71 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL7286362 | 0.89 | OXTR (0.81) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7315105 | 0.89 | OXTR (0.81) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL8846557 | 0.87 | OXTR (0.77) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7302900 | 0.87 | OXTR (1.00) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7304643 | 0.86 | OXTR (0.82) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7313655 | 0.85 | OXTR (0.86) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7310796 | 0.85 | OXTR (0.86) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7308336 | 0.85 | OXTR (0.86) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7302934 | 0.85 | OXTR (0.76) | OXTRAVPR2AVPR1AAVPR1BCYP3A4 | |
| SCHEMBL7307014 | 0.85 | OXTR (0.85) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708765-A4 | SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS | MERCK & CO INC (US) | 1996-06-26 | — | — | EP | disclosed |
| EP-0708765-A1 | SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-05-01 | — | — | EP | disclosed |