Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.64 |
| ▸ | HTR2A | P28223 | 5/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18524130 | 0.98 | TAAR1 (0.62) | TAAR1HTR2ATRPM8HTR2CCHEK1 | |
| SCHEMBL20425681 | 0.83 | TAAR1 (0.52) | TAAR1HTR2ATRPM8HTR2CCHEK1 | |
| SCHEMBL29890016 | 0.83 | TAAR1 (0.52) | TAAR1HTR2ATRPM8HTR2CCHEK1 | |
| SCHEMBL31142940 | 0.83 | CYP2A6 (0.44) | TAAR1HTR2ATRPM8ALDH1A1MAPK1 | |
| SCHEMBL2550855 | 0.83 | CYP2A6 (0.44) | TAAR1HTR2ATRPM8ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL7637186 | 0.82 | TAAR1 (0.50) | TAAR1HTR2ATRPM8HTR2CCHEK1 | |
| Hydrochloric Acid SCHEMBL29507155 | 0.82 | TAAR1 (0.50) | TAAR1HTR2ATRPM8HTR2CCHEK1 | |
| SCHEMBL14222335 | 0.81 | TAAR1 (0.41) | TAAR1ALDH1A1MAPK1CHRNB2CHRNA7 | |
| SCHEMBL3406480 | 0.79 | TAAR1 (0.39) | TAAR1ALDH1A1MAPK1 | |
| SCHEMBL3406483 | 0.79 | TAAR1 (0.39) | TAAR1CHEK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1112998-B1 | AMINE DERIVATIVES | POLA CHEM IND INC (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6586633-B1 | Antifungal agents | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1112998-A1 | AMINE DERIVATIVES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-07-04 | — | — | EP | disclosed |