Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL10709765 | 1.00 | S1PR1 (0.39) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10709898 | 1.00 | S1PR1 (0.39) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10709908 | 1.00 | S1PR1 (0.39) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10708166 | 0.97 | S1PR1 (0.41) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10708160 | 0.97 | S1PR1 (0.41) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10718165 | 0.90 | S1PR1 (0.38) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10456881 | 0.90 | S1PR1 (0.43) | S1PR1HTR2AHTR2CBCHE | |
| SCHEMBL10456966 | 0.90 | S1PR1 (0.43) | S1PR1HTR2AHTR2CBCHE | |
| SCHEMBL10718167 | 0.90 | S1PR1 (0.38) | S1PR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14220507 | 0.87 | HRH3 (0.40) | S1PR1HTR2AHTR2CBCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0133489-B1 | NEMATIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1988-01-20 | — | — | EP | disclosed |
| US-4637897-A | Nematic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-01-20 | — | — | US | disclosed |