Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | 0.77 | TRPA1 (0.42) | TRPA1TSHRTAAR1HTR2AESR1 | |
| SCHEMBL15571133 | 0.77 | TRPA1 (0.42) | TRPA1TSHRTAAR1HTR2AESR1 | |
| SCHEMBL4491007 | 0.77 | SMN1; SMN2 (0.47) | TRPA1TSHRTAAR1HTR2AESR1 | |
| SCHEMBL1856265 | 0.74 | TAAR1 (0.52) | TRPA1TSHRTAAR1HTR2AHRH1 | |
| SCHEMBL1344877 | 0.73 | TSHR (0.50) | TRPA1TSHRTAAR1HTR2AESR1 | |
| SCHEMBL10770631 | 0.73 | TSHR (0.42) | TRPA1TSHRESR1ESR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7863498 | 0.72 | TAAR1 (0.50) | TRPA1TSHRTAAR1HTR2AESR1 | |
| SCHEMBL12949533 | 0.71 | HRH1 (0.56) | TRPA1TSHRTAAR1HTR2ACYP1A2 | |
| SCHEMBL6014403 | 0.71 | TAAR1 (0.54) | TRPA1TAAR1HTR2A | |
| SCHEMBL11829895 | 0.71 | AOC3 (0.48) | TAAR1HTR2ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0064158-A1 | Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them | BASF Aktiengesellschaft (DE) | 1982-11-10 | — | — | EP | claimed |
| EP-0064158-A1 | Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them | BASF Aktiengesellschaft (DE) | 1982-11-10 | — | — | EP | disclosed |