Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.31 |
| ▸ | GALR1 | P47211 | 1/20 | 0.30 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6576709 | 0.74 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL4462831 | 0.74 | — | — | |
| SCHEMBL10570766 | 0.71 | HPGD (0.35) | CYP2C9CYP2C19 | |
| SCHEMBL15904351 | 0.69 | IDO1 (0.39) | — | |
| SCHEMBL19126868 | 0.68 | ADORA2A (0.36) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL9067362 | 0.68 | ALOX5 (0.43) | — | |
| SCHEMBL8531806 | 0.66 | CYP1B1 (0.40) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL9203020 | 0.66 | ALOX5 (0.42) | CYP2A6CYP2C9CYP2C19ACMSD | |
| SCHEMBL4280216 | 0.66 | HSD17B1 (0.44) | CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2363028 | 0.66 | RXRA (0.38) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6107495-A | REACTING SPECIFIED 1-(2- OR 3-THIENYL) CYCLOHEXANES WITH A 1,5-DIHALOPENTANE TO FORM CYCLIC (THIENYLCYCLOHEXYL)AMINES SUCH AS 2-ALKYL-(3-THIENYL)CYCLOHEXYL PIPERIDINE; USE AS INTERMEDIATES TO RADIOACTIVE LABELLED MOLECULES | SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) | 2000-08-22 | — | — | US | disclosed |