Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8278787 | 0.80 | DPP4 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL3470666 | 0.80 | DPP4 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL9366048 | 0.79 | CYP2C19 (0.60) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL9365969 | 0.79 | CYP2D6 (0.60) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL19634040 | 0.79 | MC4R (0.55) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL3715253 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL9366741 | 0.76 | CYP1A2 (0.96) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL6201655 | 0.76 | CYP1A2 (0.68) | CYP1A2CYP2C19TSHRDPP4SLC6A2 | |
| SCHEMBL14451970 | 0.75 | DPP4 (0.50) | CYP2D6DPP4SLC6A2SLC6A4MC4R | |
| SCHEMBL9366991 | 0.75 | CYP1A2 (0.79) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0346791-B1 | 1,2-diarylethylamines for treatment of neurotoxic injury | SEARLE & CO (US) | 1994-04-06 | — | — | EP | claimed |
| EP-0346791-A1 | 1,2-diarylethylamines for treatment of neurotoxic injury | G.D. Searle & Co. (US) | 1989-12-20 | — | — | EP | claimed |
| EP-0346791-B1 | 1,2-diarylethylamines for treatment of neurotoxic injury | SEARLE & CO (US) | 1994-04-06 | — | — | EP | disclosed |
| EP-0346791-A1 | 1,2-diarylethylamines for treatment of neurotoxic injury | G.D. Searle & Co. (US) | 1989-12-20 | — | — | EP | disclosed |