Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 6/20 | 0.61 |
| ▸ | AVPR1A | P37288 | 7/20 | 0.47 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8279809 | 0.87 | OXTR (0.68) | OXTRAVPR1AAVPR2CACNA2D1SMN1; SMN2 | |
| SCHEMBL8282113 | 0.82 | OXTR (0.71) | OXTRAVPR1AAVPR2CACNA2D1SMN1; SMN2 | |
| SCHEMBL8281669 | 0.79 | OXTR (0.77) | OXTRAVPR1AAVPR2SMN1; SMN2HPGD | |
| SCHEMBL8282112 | 0.76 | OXTR (1.00) | OXTRAVPR1AAVPR2 | |
| SCHEMBL8281723 | 0.74 | OXTR (0.58) | OXTRAVPR1AAVPR2ALDH1A1LMNA | |
| SCHEMBL8280928 | 0.74 | OXTR (0.58) | OXTRAVPR1AAVPR2MEN1KMT2A | |
| SCHEMBL6511017 | 0.70 | OXTR (0.80) | OXTRAVPR1AAVPR2TUBB4ATUBB | |
| SCHEMBL254428 | 0.69 | HPGD (0.53) | MEN1KMT2AGAATSHRALDH1A1 | |
| SCHEMBL5832320 | 0.66 | AVPR1A (0.72) | OXTRAVPR1AAVPR2 | |
| SCHEMBL8282122 | 0.65 | AVPR2 (0.49) | OXTRAVPR1AAVPR2GAATSHR |
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 |