Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2995569 | 0.78 | TAAR1 (0.40) | TAAR1CHRM2CYP2D6CHRM1KCNH2 | |
| SCHEMBL113841 | 0.70 | TAAR1 (0.50) | TAAR1CYP2D6KCNH2LMNACYP1A2 | |
| SCHEMBL4399833 | 0.70 | TAAR1 (0.50) | TAAR1CYP2D6KCNH2LMNACYP1A2 | |
| SCHEMBL4399836 | 0.70 | TAAR1 (0.50) | TAAR1CYP2D6KCNH2LMNACYP1A2 | |
| SCHEMBL25968625 | 0.69 | KDM4E (0.43) | KDM4ECYP2D6CYP1A2 | |
| SCHEMBL2991583 | 0.69 | PKM (0.35) | TAAR1CHRM2CYP2D6CHRM1KCNH2 | |
| SCHEMBL22260329 | 0.69 | KDM4E (0.43) | KDM4ECYP2D6CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27739613 | 0.69 | TAAR1 (0.48) | TAAR1CYP2D6KCNH2LMNACYP1A2 | |
| SCHEMBL7024056 | 0.69 | TAAR1 (0.48) | TAAR1CYP2D6 | |
| SCHEMBL27535279 | 0.67 | TAAR1 (0.47) | TAAR1KDM4ECYP2D6LMNACYP1A2 |
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-7238707-B2 | Substituted pentanols, a process for their production and their use as anti-inflammatory agents | SCHERING AG (DE) | 2007-07-03 | — | — | US | disclosed |