Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SGPL1 | O95470 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9318379 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9318125 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9320439 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9318120 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9319327 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9318373 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9318136 | 0.95 | CYP2C9 (0.34) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL9318823 | 0.91 | CYP2C9 (0.41) | CYP3A4MAPTCYP2C9MEN1KMT2A | |
| SCHEMBL7916034 | 0.89 | SPHK1 (0.37) | CYP3A4CYP2C8S1PR3MAPTGAA | |
| SCHEMBL7916037 | 0.89 | SPHK1 (0.37) | CYP3A4CYP2C8S1PR3MAPTGAA |
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-5292454-A | Trifluorotoluene compounds, and a liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-03-08 | — | — | US | disclosed |