Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 3/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 8/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6207415 | 0.78 | AVPR2 (0.39) | AVPR1AAVPR2POLBHSD17B10STAT3 | |
| SCHEMBL6207413 | 0.77 | AVPR1A (0.38) | AVPR1AAVPR2POLBHSD17B10OXTR | |
| SCHEMBL5117311 | 0.77 | AVPR2 (0.43) | AVPR1AAVPR2 | |
| SCHEMBL5117936 | 0.77 | AVPR2 (0.43) | AVPR1AAVPR2 | |
| SCHEMBL5891244 | 0.74 | AVPR2 (0.46) | AVPR1AAVPR2PDK1PDK2PDK3 | |
| SCHEMBL5111220 | 0.74 | AVPR2 (0.46) | AVPR1AAVPR2BRD4OXTR | |
| SCHEMBL5143793 | 0.74 | AVPR2 (0.46) | AVPR1AAVPR2BRD4OXTR | |
| SCHEMBL5119243 | 0.74 | AVPR2 (0.46) | AVPR1AAVPR2BRD4OXTR | |
| SCHEMBL6068860 | 0.73 | AVPR1A (0.57) | AVPR1AAVPR2OXTR | |
| SCHEMBL5106769 | 0.73 | AVPR1A (0.57) | AVPR1AAVPR2OXTR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1381607-B1 | NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | WYETH CORP (US) | 2005-10-26 | — | — | EP | claimed |