Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 9/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | GLP1R | P43220 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4697134 | 0.84 | ALDH1A1 (0.46) | ALDH1A1AVPR2AVPR1AKCNK3P2RX7 | |
| SCHEMBL7336774 | 0.75 | SLC6A9 (0.36) | ALDH1A1AVPR2AVPR1AP2RX7OXTR | |
| SCHEMBL4682740 | 0.73 | ALDH1A1 (0.43) | ALDH1A1AVPR2AVPR1AP2RX7 | |
| SCHEMBL7343891 | 0.72 | AVPR2 (0.42) | ALDH1A1AVPR2AVPR1AP2RX7OXTR | |
| SCHEMBL4686460 | 0.69 | AVPR2 (0.48) | AVPR2AVPR1AOXTRMEN1KMT2A | |
| SCHEMBL8631703 | 0.68 | KCNK3 (0.33) | ALDH1A1KCNK3P2RX7ALOX5GAA | |
| SCHEMBL6600777 | 0.68 | AVPR2 (0.59) | AVPR2AVPR1AOXTR | |
| SCHEMBL4685028 | 0.67 | GAA (0.40) | ALDH1A1AVPR2AVPR1AGAAHTR2C | |
| SCHEMBL5480924 | 0.67 | AVPR2 (0.46) | ALDH1A1AVPR2AVPR1AGAAABCB11 | |
| SCHEMBL7356097 | 0.66 | AVPR2 (0.67) | AVPR2AVPR1AOXTRABCB11HTR1A |
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-5843944-A | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-12-01 | — | — | US | disclosed |