Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.32 |
| ▸ | PER2 | O15055 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16639238 | 0.85 | TRPA1 (0.40) | TRPA1AVPR2AVPR1ANOTUMPARK7 | |
| SCHEMBL16639240 | 0.77 | CA1 (0.37) | NOTUMPARK7PER2ALDH1A1CRY2 | |
| SCHEMBL16628455 | 0.72 | ALK (0.34) | TRPA1ALDH1A1CYP1A2CYP3A4DPP4 | |
| SCHEMBL16628454 | 0.72 | ALK (0.34) | TRPA1ALDH1A1CYP1A2CYP3A4DPP4 | |
| SCHEMBL18926568 | 0.71 | AVPR2 (0.38) | TRPA1AVPR2AVPR1A | |
| SCHEMBL16628531 | 0.69 | LMNA (0.39) | ALDH1A1CNR2 | |
| SCHEMBL6552805 | 0.61 | MEN1 (0.36) | AVPR2AVPR1A | |
| SCHEMBL3557117 | 0.59 | AVPR2 (0.35) | AVPR2AVPR1AALDH1A1 | |
| SCHEMBL16723442 | 0.59 | CCNT1 (0.36) | — | |
| SCHEMBL7564661 | 0.58 | PARP1 (0.42) | TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2860175-B1 | METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF | TACURION (US) | 2017-11-29 | — | — | EP | disclosed |
| EP-2860175-A1 | METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF | Astellas Pharma Inc. (JP) | 2015-04-15 | — | — | EP | disclosed |