Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | 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 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9320436 | 1.00 | MAPT (0.34) | MAPTGAASPHK1CYP2C9CYP3A4 | |
| SCHEMBL9319326 | 1.00 | MAPT (0.34) | MAPTGAASPHK1CYP2C9CYP3A4 | |
| SCHEMBL9318123 | 1.00 | MAPT (0.34) | MAPTGAASPHK1CYP2C9CYP3A4 | |
| SCHEMBL9318117 | 1.00 | MAPT (0.34) | MAPTGAASPHK1CYP2C9CYP3A4 | |
| SCHEMBL9318370 | 1.00 | MAPT (0.34) | MAPTGAASPHK1CYP2C9CYP3A4 | |
| SCHEMBL9319082 | 1.00 | MAPT (0.34) | MAPTGAASPHK1CYP2C9CYP3A4 | |
| SCHEMBL9318132 | 0.95 | CYP2C9 (0.34) | MAPTGAACYP2C9MEN1KMT2A | |
| SCHEMBL9318813 | 0.91 | CYP2C9 (0.40) | MAPTCYP2C9CYP3A4MEN1KMT2A | |
| SCHEMBL9319135 | 0.89 | CYP2C9 (0.34) | MAPTGAASPHK1CYP2C9MEN1 | |
| SCHEMBL9319285 | 0.86 | TRPA1 (0.32) | — |
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 |