Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL16951995 | 0.80 | CYP1A2 (0.46) | ALDH1A1TSHRTRPA1ATMCYP1A2 | |
| SCHEMBL1249412 | 0.78 | CYP1A2 (0.43) | ALDH1A1TSHRGABRA1GABRB2TRPA1 | |
| SCHEMBL16962282 | 0.78 | TRPA1 (0.37) | ALDH1A1TSHRTRPA1CYP1A2CYP2A6 | |
| SCHEMBL16952399 | 0.78 | ERN1 (0.38) | ALDH1A1TSHRTRPA1KDM4EPOLB | |
| SCHEMBL16959528 | 0.77 | ALOX12 (0.42) | ALDH1A1TSHRGABRA1GABRB2CA2 | |
| SCHEMBL16956042 | 0.77 | ALOX5 (0.33) | ALDH1A1MAPT | |
| SCHEMBL16960633 | 0.76 | ERN1 (0.38) | — | |
| SCHEMBL16959339 | 0.76 | HSD11B1 (0.33) | — | |
| SCHEMBL16953140 | 0.76 | — | — | |
| SCHEMBL16955561 | 0.76 | ALDH1A1 (0.39) | ALDH1A1 |
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 |