Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892798 | 0.98 | CHRNA7 (0.60) | CHRNA7CYP3A4SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL8893433 | 0.97 | CHRNA7 (0.55) | CHRNA7CYP3A4SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL11073631 | 0.80 | SLC6A4 (0.74) | SLC6A4SLC6A3SLC6A2 | |
| Perastine SCHEMBL1506306 | 0.76 | CYP3A4 (0.83) | CHRNA7CYP3A4SLC6A4SLC6A3CYP1A2 | |
| Perastine SCHEMBL29768269 | 0.74 | CYP3A4 (0.83) | CHRNA7CYP3A4SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL8647649 | 0.74 | LMNA (0.83) | CYP3A4SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL8893211 | 0.74 | IDO1 (0.35) | CHRNA7CYP3A4SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL8645362 | 0.73 | LMNA (0.81) | CYP3A4SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL13467867 | 0.72 | CYP2D6 (0.79) | CYP3A4CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL7423150 | 0.72 | CHRNA7 (0.65) | CHRNA7CYP3A4SLC6A4SLC6A3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997027175-A1 | SUBSTITUTED ETHYL α,α - DIARYLMETHYL ETHER DERIVATIVES | GUILFORD PHARMACEUTICALS INC. (US) | 1997-07-31 | — | — | WO | claimed |