Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL28935960 | 0.81 | CYP1A2 (0.31) | CYP1A2CYP2A6 | |
| SCHEMBL17843026 | 0.79 | CYP3A4 (0.36) | CYP3A4MAPK1 | |
| SCHEMBL21567158 | 0.79 | CYP3A4 (0.38) | CYP3A4MAPK1CYP1A2CYP2D6NFKB1 | |
| SCHEMBL11240113 | 0.77 | CYP3A4 (0.42) | CYP3A4MAPK1CYP1A2CYP2A6CYP2D6 | |
| SCHEMBL17858501 | 0.76 | PDE2A (0.46) | CYP3A4MAPK1CYP1A2CYP2D6NFKB1 | |
| SCHEMBL4458219 | 0.73 | CYP3A4 (0.41) | CYP3A4MAPK1CYP1A2CYP2A6PNMT | |
| SCHEMBL8978635 | 0.71 | CFD (0.47) | CYP3A4MAPK1CYP1A2CYP2A6CYP2D6 | |
| SCHEMBL8728798 | 0.71 | — | — | |
| SCHEMBL17858532 | 0.71 | PDE2A (0.44) | — | |
| SCHEMBL28845000 | 0.70 | CES2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4079090-A | Preparation of trichloromethyl-trifluoro methyl-benzenes | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-14 | — | — | US | disclosed |