Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15457400 | 0.83 | CYP1A2 (0.46) | CYP1A2CYSLTR1CYSLTR2PSMB5PDE10A | |
| SCHEMBL14355158 | 0.80 | LMNA (0.53) | CYP1A2CYSLTR1CYSLTR2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11177964 | 0.78 | LMNA (0.55) | CYP1A2CYSLTR1CYSLTR2CYP3A4KDM4E | |
| SCHEMBL728065 | 0.76 | CYP1A2 (0.54) | CYP1A2PSMB5PDE10AGPBAR1CYP2C19 | |
| SCHEMBL23844622 | 0.73 | CYP1A2 (0.52) | CYP1A2CYSLTR1CYSLTR2NCF1PDE10A | |
| SCHEMBL2877991 | 0.73 | CYSLTR1 (0.52) | CYP1A2CYSLTR1CYSLTR2NCF1PSMB5 | |
| SCHEMBL22275634 | 0.71 | IDO1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11064823 | 0.71 | IDO1 (0.55) | CYP3A4KDM4E | |
| SCHEMBL13930771 | 0.71 | NPC1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3267444 | 0.70 | CYSLTR1 (0.57) | CYP1A2CYSLTR1CYSLTR2NCF1PDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63183563-A | — | — | None | — | — | JP | disclosed |
| JP-S63183563-A | 2-QUINOLYLMETHYL=SULFIDE DERIVATIVE AND PRODUCTION THEREOF | MECT CORP | 1988-07-28 | — | — | JP | disclosed |