Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL988872 | 0.81 | TRPA1 (0.42) | TRPA1TSHRCCR1ALDH1A1HTT | |
| SCHEMBL9188938 | 0.80 | CCR1 (0.42) | CCR1SMN1; SMN2 | |
| SCHEMBL1096439 | 0.80 | TRPA1 (0.38) | TRPA1TSHRCCR1ALDH1A1HTT | |
| SCHEMBL11198210 | 0.76 | CCR1 (0.40) | CCR1CHRNB4CHRNA3SMN1; SMN2 | |
| SCHEMBL7235718 | 0.76 | HRH1 (0.50) | ALDH1A1HTTCYP2D6MEN1CYP1A2 | |
| SCHEMBL953748 | 0.75 | TRPA1 (0.43) | TRPA1TSHRCCR1ALDH1A1ESR1 | |
| SCHEMBL7295721 | 0.75 | TRPA1 (0.43) | TRPA1TSHRCCR1ALDH1A1CHRNB4 | |
| SCHEMBL22323261 | 0.75 | TSHR (0.43) | TRPA1TSHRCCR1ALDH1A1L3MBTL1 | |
| SCHEMBL8678630 | 0.75 | TSHR (0.43) | TRPA1TSHRCCR1ALDH1A1CHRNB4 | |
| SCHEMBL12949533 | 0.75 | HRH1 (0.56) | TRPA1TSHRCCR1CYP2D6CYP1A2 |
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-1099692-B1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6737425-B1 | SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS | EISAI CO., LTD. (JP) | 2004-05-18 | — | — | US | disclosed |
| EP-1099692-A1 | N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-05-16 | — | — | EP | disclosed |