Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.36 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849079 | 0.84 | ESR2 (0.42) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| SCHEMBL30528719 | 0.80 | ESR2 (0.37) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| SCHEMBL2852708 | 0.80 | PDE4A (0.44) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| SCHEMBL28754177 | 0.80 | PDE4A (0.44) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| Hydrochloric Acid SCHEMBL28477097 | 0.78 | PDE4A (0.43) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| SCHEMBL3726533 | 0.77 | DHODH (0.43) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| SCHEMBL19857180 | 0.77 | METAP2 (0.40) | ESR2ALDH1A1HSD17B10PDE4APDE4B | |
| SCHEMBL21199977 | 0.76 | ALOX5AP (0.42) | ALDH1A1HSD17B10PDE4APDE4BPDE4C | |
| SCHEMBL28802440 | 0.76 | HSD17B10 (0.46) | ALDH1A1HSD17B10PDE4APDE4BPDE4C | |
| SCHEMBL2206286 | 0.76 | ESR2 (0.42) | ESR2ALDH1A1HSD17B10PDE4APDE4B |
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-2349256-A1 | HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS | Janssen Pharmaceutica NV (BE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045166-A1 | HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |