Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.45 |
| ▸ | MERTK | Q12866 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ATP4A | P20648 | 1/20 | 0.39 |
| ▸ | ATP4B | P51164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL32674469 | 0.86 | CYP2A6 (0.49) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL16807422 | 0.86 | CYP2A6 (0.49) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| Hydrochloric Acid SCHEMBL29282727 | 0.85 | CYP2A6 (0.48) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| Hydrochloric Acid SCHEMBL30994438 | 0.85 | CYP2A6 (0.48) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL291163 | 0.78 | CYP2A6 (0.61) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL2821094 | 0.76 | CYP2D6 (0.49) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL23746267 | 0.75 | GBA1 (0.43) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL2227620 | 0.73 | CYP3A4 (0.46) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL11396105 | 0.73 | HPGDS (0.48) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 | |
| SCHEMBL152405 | 0.72 | HPGDS (0.50) | CYP2C9CYP2D6CYP2C19CYP3A4CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1229082-A | Amine compound and its acid addition salt | ROUSSEL UCLAF (FR) | 1999-09-22 | — | — | CN | claimed |
| EP-0680967-B1 | Erythromycin derivatives, their process of preparation and their use as medicaments | HOECHST MARION ROUSSEL INC (FR) | 1998-10-14 | — | — | EP | claimed |
| CN-1151746-A | Novel erythromycin derivatives, process for their preparation and their use as medicaments | ROUSSEL UCLAF (FR) | 1997-06-11 | — | — | CN | claimed |