Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 13/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8517405 | 1.00 | CYP2D6 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8517406 | 1.00 | CYP2D6 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8518672 | 0.90 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3OPRL1ESR2 | |
| SCHEMBL8518671 | 0.90 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3OPRL1ESR2 | |
| SCHEMBL8518669 | 0.90 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3OPRL1ESR2 | |
| SCHEMBL8518665 | 0.90 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3OPRL1ESR2 | |
| SCHEMBL8518668 | 0.90 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3OPRL1ESR2 | |
| SCHEMBL8517534 | 0.88 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL9313008 | 0.88 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8517533 | 0.88 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |