Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29464137 | 0.79 | CYP3A4 (0.52) | ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15 | |
| SCHEMBL3075750 | 0.79 | CYP3A4 (0.52) | ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15 | |
| SCHEMBL1132624 | 0.78 | IDO1 (0.57) | ALDH1A1TSHRCYP3A4TDP1TP53 | |
| SCHEMBL29710420 | 0.78 | IDO1 (0.57) | ALDH1A1TSHRCYP3A4TDP1TP53 | |
| SCHEMBL1337289 | 0.76 | IDO1 (0.41) | ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15 | |
| Bromide SCHEMBL20984360 | 0.76 | IDO1 (0.55) | ALDH1A1TSHRCYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL967050 | 0.76 | IDO1 (0.55) | ALDH1A1TSHRCYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL29502114 | 0.76 | IDO1 (0.55) | ALDH1A1TSHRCYP3A4TDP1TP53 | |
| SCHEMBL4930598 | 0.76 | CYP3A4 (0.48) | ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15 | |
| SCHEMBL1708815 | 0.75 | CASP1 (0.39) | ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15 |
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-3402797-B1 | HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2020-02-19 | — | — | EP | disclosed |