Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16957052 | 0.82 | PDCD1LG2 (0.34) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL3919624 | 0.80 | PNMT (0.52) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16954071 | 0.79 | CYP1A2 (0.48) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL6602986 | 0.77 | PNMT (0.52) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16956075 | 0.77 | PNMT (0.47) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16958415 | 0.77 | PNMT (0.47) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL6605633 | 0.77 | PNMT (0.52) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16951921 | 0.77 | PNMT (0.47) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16954206 | 0.76 | PNMT (0.50) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16957522 | 0.74 | PNMT (0.48) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 |
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 |