Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 7/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954155 | 0.83 | VCAM1 (0.39) | CYP2A6VCAM1MAOAMAOBKDM4E | |
| SCHEMBL16957673 | 0.81 | TRPV4 (0.38) | MAOAMAOBARTRPV4 | |
| SCHEMBL16959300 | 0.81 | MAOB (0.38) | MAOAMAOBNOS2NOS3NOS1 | |
| SCHEMBL16959596 | 0.81 | IMPDH2 (0.33) | TRPV4 | |
| SCHEMBL16955533 | 0.80 | AR (0.37) | CYP2A6MAOAMAOBAR | |
| SCHEMBL16960404 | 0.77 | VCAM1 (0.42) | CYP2A6VCAM1MAOAMAOBKDM4E | |
| SCHEMBL16962123 | 0.77 | VCAM1 (0.42) | CYP2A6VCAM1MAOAMAOBKDM4E | |
| SCHEMBL16960169 | 0.77 | TP53 (0.39) | TDP1 | |
| SCHEMBL16952763 | 0.77 | PPARG (0.33) | — | |
| SCHEMBL16959905 | 0.75 | CYP11B1 (0.44) | MAOAMAOBKDM4EMAPTTDP1 |
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 |