Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL4108154 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16954206 | 0.79 | PNMT (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16953673 | 0.79 | ADRA2A (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6TDP1 | |
| SCHEMBL16954732 | 0.79 | CYP1A2 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16952614 | 0.78 | GABRA1 (0.41) | CYP1A2CYP3A4LMNAKMT2AHPGD | |
| SCHEMBL24569288 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16956554 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16954434 | 0.76 | ALDH1A1 (0.34) | ALDH1A1TDP1 | |
| SCHEMBL16957215 | 0.76 | ACHE (0.33) | ALDH1A1TDP1 | |
| SCHEMBL16956878 | 0.76 | CYP1A2 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 |
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 |