Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | S100B | P04271 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16797148 | 0.81 | CYP1A2 (0.42) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL9338852 | 0.79 | TSHR (0.47) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16960827 | 0.78 | PNMT (0.48) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL1872442 | 0.77 | CYP1A2 (0.58) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL24597274 | 0.76 | CYP1A2 (0.33) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16951977 | 0.76 | CYP1A2 (0.38) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL11800950 | 0.76 | CYP3A4 (0.38) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16797149 | 0.76 | KIF11 (0.42) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL14660907 | 0.76 | P2RX7 (0.36) | PNMTCYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL22801396 | 0.75 | CYP1A2 (0.68) | 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 |