Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL10687771 | 0.82 | TRPA1 (0.44) | TRPA1ATMKMT2AMEN1ESR1 | |
| SCHEMBL16962916 | 0.81 | PDE5A (0.35) | TRPA1ATMKMT2AALDH1A1CYP3A4 | |
| SCHEMBL16951879 | 0.81 | P2RX7 (0.38) | KMT2AMEN1ALDH1A1HSD17B10HPGD | |
| SCHEMBL16953964 | 0.81 | KAT6A (0.39) | TRPA1ATMKMT2AMEN1ALDH1A1 | |
| SCHEMBL16950949 | 0.80 | TRPA1 (0.43) | TRPA1ATMKMT2AMEN1ESR1 | |
| SCHEMBL16952726 | 0.80 | TRPA1 (0.43) | TRPA1ATMKMT2AMEN1ESR1 | |
| SCHEMBL16952065 | 0.80 | TRPA1 (0.43) | TRPA1ATMKMT2AMEN1ESR1 | |
| SCHEMBL16953170 | 0.80 | TRPA1 (0.48) | TRPA1ATMKMT2AMEN1ALDH1A1 | |
| SCHEMBL6314438 | 0.80 | TRPA1 (0.43) | TRPA1ATMKMT2AMEN1ESR1 | |
| SCHEMBL16954721 | 0.79 | ALDH1A1 (0.33) | KMT2AMEN1ALDH1A1LMNACYP1A2 |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |