Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 9/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | VCP | P55072 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL16952912 | 0.85 | ADRB2 (0.36) | ADRB2CYP1A2 | |
| SCHEMBL16956991 | 0.83 | PARP1 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL16958465 | 0.82 | — | — | |
| SCHEMBL16952104 | 0.82 | CES2 (0.42) | CYP1A2CYP2C9CYP2C19ADRB1ADRA2A | |
| SCHEMBL13451176 | 0.79 | CYP3A4 (0.42) | ADRB2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20764902 | 0.79 | PARP1 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL16950957 | 0.78 | TRPV3 (0.35) | AKT1ADRB1ADRA2AADRB3ADRA2B | |
| SCHEMBL16958962 | 0.78 | S1PR1 (0.38) | NPSR1KDM4E | |
| SCHEMBL16956869 | 0.78 | NOTUM (0.36) | CYP2D6IDO1 | |
| SCHEMBL16957637 | 0.78 | — | — |
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 |