Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 15/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4684464 | 0.81 | AVPR2 (0.49) | AVPR2HTTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL8630292 | 0.77 | AVPR2 (0.43) | AVPR2ALDH1A1CYP2C9AVPR1A | |
| SCHEMBL8630692 | 0.76 | AVPR2 (0.43) | AVPR2ALDH1A1CYP2C9AVPR1A | |
| SCHEMBL4685002 | 0.75 | AVPR2 (0.46) | AVPR2MEN1ALDH1A1KMT2AAVPR1A | |
| SCHEMBL8715447 | 0.71 | AVPR1A (0.53) | AVPR2CYP2C9AVPR1A | |
| SCHEMBL8712407 | 0.70 | AVPR2 (0.52) | AVPR2AVPR1A | |
| SCHEMBL8628740 | 0.70 | AVPR2 (0.48) | AVPR2AVPR1A | |
| SCHEMBL8713758 | 0.69 | AVPR1A (0.53) | AVPR2CYP2C9AVPR1A | |
| Hydrochloric Acid SCHEMBL8630729 | 0.69 | AVPR2 (0.48) | AVPR2CYP2C9AVPR1A | |
| SCHEMBL8632029 | 0.69 | AVPR2 (0.48) | AVPR2AVPR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |