Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11139072 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11135163 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11140220 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11140457 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11141766 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11142658 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11140772 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11145997 | 0.98 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11135331 | 0.98 | CYP3A4 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11140509 | 0.98 | KMT2A (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 |
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-4386007-A | ELECTROOPTIC DISPLAY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-05-31 | — | — | US | disclosed |