Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4066426 | 0.78 | TRPA1 (0.62) | TRPA1ALDH1A1CYP2A6GAALMNA | |
| SCHEMBL534446 | 0.76 | TRPA1 (0.60) | TRPA1ALDH1A1LMNATDP1SMN1; SMN2 | |
| SCHEMBL3960014 | 0.76 | TRPA1 (0.54) | TRPA1ALDH1A1GAALMNATDP1 | |
| Bromo Benzyl Cyanide SCHEMBL27315132 | 0.75 | TRPA1 (1.00) | TRPA1ALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL3278040 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP2A6GAALMNATDP1 | |
| SCHEMBL8035378 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP2A6GAALMNATDP1 | |
| Bromo Benzyl Cyanide SCHEMBL437646 | 0.75 | TRPA1 (1.00) | TRPA1ALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL14593279 | 0.74 | TRPA1 (0.57) | TRPA1ALDH1A1GAAACHEESR1 | |
| Bromo Benzyl Cyanide SCHEMBL11220656 | 0.73 | TRPA1 (0.95) | TRPA1ALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL958687 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP2A6GAALMNATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7169777-B2 | Melanocortin receptor agonists | ELI LILLY AND COMPANY (US) | 2007-01-30 | — | — | US | disclosed |
| US-5225414-A | SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-07-06 | — | — | US | disclosed |
| EP-0468372-A2 | Substituted azoles, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | disclosed |