Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 10/20 | 0.68 |
| ▸ | AVPR1A | P37288 | 7/20 | 0.52 |
| ▸ | AVPR2 | P30518 | 3/20 | 0.49 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8282113 | 0.90 | OXTR (0.71) | OXTRAVPR1AAVPR2CACNA2D1HPGD | |
| SCHEMBL8282111 | 0.87 | OXTR (0.61) | OXTRAVPR1AAVPR2CACNA2D1HPGD | |
| SCHEMBL8281669 | 0.84 | OXTR (0.77) | OXTRAVPR1AAVPR2HPGDSMN1; SMN2 | |
| SCHEMBL8282112 | 0.81 | OXTR (1.00) | OXTRAVPR1AAVPR2 | |
| SCHEMBL8280928 | 0.77 | OXTR (0.58) | OXTRAVPR1AAVPR2HPGDSMN1; SMN2 | |
| SCHEMBL8281723 | 0.77 | OXTR (0.58) | OXTRAVPR1AAVPR2LMNAMAPT | |
| SCHEMBL6511017 | 0.75 | OXTR (0.80) | OXTRAVPR1AAVPR2 | |
| SCHEMBL6529450 | 0.74 | CACNA2D1 (0.56) | OXTRAVPR1AAVPR2CACNA2D1GLA | |
| SCHEMBL8281619 | 0.72 | GLA (0.76) | OXTRAVPR1AAVPR2GLAHPGD | |
| SCHEMBL254428 | 0.71 | HPGD (0.53) | HPGDSMN1; SMN2LMNAMAPTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |