Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.53 |
| ▸ | RXRB | P28702 | 2/20 | 0.53 |
| ▸ | RXRG | P48443 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14776123 | 0.88 | HSD17B2 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL25860219 | 0.88 | HSD17B2 (0.52) | RXRARXRBRXRGCA12CA1 | |
| SCHEMBL1402196 | 0.85 | TSHR (0.60) | RXRARXRBRXRGTHRATHRB | |
| SCHEMBL30440465 | 0.85 | CREBBP (0.60) | RXRARXRBRXRGTHRATHRB | |
| SCHEMBL314656 | 0.85 | CREBBP (0.60) | RXRARXRBRXRGTHRATHRB | |
| SCHEMBL1993657 | 0.84 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17339621 | 0.84 | RXRA (0.54) | RXRARXRBRXRGTHRATHRB | |
| SCHEMBL374633 | 0.83 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24197027 | 0.82 | NPC1 (0.49) | RXRARXRBRXRGCA12CA1 | |
| SCHEMBL2543756 | 0.82 | CA12 (0.53) | CA12CA1CA2CA7CA9 |
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 2 patents. 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 |
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |