Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL2957938 | 0.84 | CTSS (0.40) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9279122 | 0.82 | CTSS (0.39) | ALDH1A1ADRA2BPTGS1TDP1 | |
| SCHEMBL31607690 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL2203933 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL3791585 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL397945 | 0.78 | ALDH1A1 (0.59) | TRPA1HSD11B1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL4392002 | 0.77 | PDK2 (0.42) | TRPA1HSD11B1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL13724253 | 0.75 | ALDH1A1 (0.57) | ALDH1A1ADRA2BPTGS1TDP1MAPK1 | |
| SCHEMBL16829403 | 0.73 | CTSS (0.44) | HSD11B1ALDH1A1CYP3A4CYP2C19MAPK1 | |
| SCHEMBL10398384 | 0.73 | TRPA1 (0.39) | TRPA1TRPM8HSD11B1TRPV1ALDH1A1 |
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-3004057-A1 | HETEROCYCLIC DERIVATIVES AND USE THEREOF | C&C Research Laboratories (KR) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014196793-A1 | HETEROCYCLIC DERIVATIVES AND USE THEREOF | C&C RESEARCH LABORATORIES (KR) | 2014-12-11 | — | — | WO | disclosed |