Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11350615 | 0.98 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL5529492 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11227779 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3239919 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL11345484 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| Bromide SCHEMBL11347082 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| Bromide SCHEMBL11346215 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4407403 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL13995329 | 0.79 | CYP1A2 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL19582613 | 0.79 | TERT (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0008405-B1 | METHOD FOR PREPARING 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE AND N-CHLOROETHYL-, N-BROMOETHYL- OR N-HYDROXYETHYL-2,3-DICHLOROBENZYLAMINE INTERMEDIATE | SMITHKLINE BECKMAN CORPORATION (US) | 1981-09-30 | — | — | EP | disclosed |
| US-4251660-A | Method for preparing tetrahydroisoquinolines | SMITHKLINE CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |
| EP-0008405-A2 | Method for preparing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline and N-chloroethyl-, N-bromoethyl- or N-hydroxyethyl-2,3-dichlorobenzylamine intermediate | SMITHKLINE BECKMAN CORPORATION (US) | 1980-03-05 | — | — | EP | disclosed |