Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 10/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26204101 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16951488 | 0.81 | GABRA1 (0.39) | CYP1A2CYP3A4LMNAHTR2C | |
| SCHEMBL16952245 | 0.81 | OPRL1 (0.35) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16950667 | 0.80 | MAP3K14 (0.35) | CYP1A2CYP3A4ALDH1A1LMNAHTR2C | |
| SCHEMBL16950597 | 0.80 | ADRA2A (0.36) | HTR2CHTR1AHTR7 | |
| SCHEMBL16956819 | 0.79 | ABCB1 (0.41) | CYP3A4ALDH1A1OPRL1HTR2CHTR1A | |
| SCHEMBL26204156 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16955804 | 0.79 | IDO1 (0.32) | — | |
| SCHEMBL16953574 | 0.79 | — | — | |
| SCHEMBL16956724 | 0.79 | GABRA1 (0.39) | CYP1A2CYP3A4ALDH1A1LMNASMN1; SMN2 |
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 |