Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL41250 | 0.84 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP1A1CYP1B1CA12 | |
| SCHEMBL2809096 | 0.84 | ALDH1A1 (0.59) | ALDH1A1ACHECYP3A4CYP1A1CYP1B1 | |
| SCHEMBL12501 | 0.81 | ALDH1A1 (0.73) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL145855 | 0.81 | ALDH1A1 (0.62) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL29587173 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| Magnesium Chloride Anhydrous SCHEMBL27723160 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP1A1CYP1B1CA12 | |
| SCHEMBL27689508 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP1A1CYP1B1CA12 | |
| SCHEMBL16960209 | 0.75 | NQO1 (0.42) | ALDH1A1CYP3A4MAPTALOX15TSHR | |
| SCHEMBL395943 | 0.74 | — | — | |
| SCHEMBL2811957 | 0.74 | — | — |
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 |