Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | AGXT | P21549 | 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 | |
|---|---|---|---|---|
| SCHEMBL2764279 | 0.80 | ALDH1A1 (0.42) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL16955847 | 0.76 | PTGDR2 (0.33) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL95486 | 0.75 | CES2 (0.43) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL718612 | 0.75 | CA3 (0.42) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL74807 | 0.75 | TRPV4 (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL4511873 | 0.75 | CA3 (0.42) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL9996500 | 0.71 | CYP11B2 (0.36) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL18245129 | 0.70 | TRPV4 (0.36) | — | |
| SCHEMBL18245341 | 0.70 | CES2 (0.38) | CES2CES1 | |
| SCHEMBL27880249 | 0.69 | ALDH1A1 (0.56) | ALDH1A1TDP1 |
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 |