Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.48 |
| ▸ | ADH1B | P00325 | 2/20 | 0.48 |
| ▸ | ADH1C | P00326 | 2/20 | 0.48 |
| ▸ | ADH1A | P07327 | 2/20 | 0.48 |
| ▸ | ADH7 | P40394 | 2/20 | 0.48 |
| ▸ | ADH4 | P08319 | 1/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22157514 | 1.00 | KDM1A (0.58) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| Hydrochloric Acid SCHEMBL28960716 | 0.98 | KDM1A (0.56) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| SCHEMBL5884803 | 0.98 | TSHR (0.55) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| SCHEMBL5884796 | 0.98 | TSHR (0.55) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| Hydrochloric Acid SCHEMBL22771742 | 0.95 | TSHR (0.52) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| Hydrochloric Acid SCHEMBL22771740 | 0.95 | TSHR (0.52) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| SCHEMBL619431 | 0.91 | — | — | |
| SCHEMBL619432 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL28461895 | 0.88 | KDM1A (0.54) | KDM1ATSHRALDH1A1EPHX1ADH1B | |
| SCHEMBL2556426 | 0.83 | KDM1A (0.59) | KDM1ATSHRALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2753319-B1 | A PAIN RELIEF COMPOSITION, COMPRISING A TRPV1 SELECTIVE AGONIST, AND MANUFACTURE AND USES THEREOF | VIZURI HEALTH SCIENCES LLC (US) | 2018-04-11 | — | — | EP | disclosed |