Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DUT | P33316 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19471245 | 0.87 | MTOR (0.44) | MTORRAB9AGRM7CYP3A4ALOX15 | |
| SCHEMBL8352681 | 0.78 | MTOR (0.74) | MTORRAB9AGRM7CYP3A4ALOX15 | |
| SCHEMBL334651 | 0.78 | CYP3A4 (0.33) | CYP3A4ALOX15ALDH1A1POLBLMNA | |
| Hydrochloric Acid SCHEMBL28410803 | 0.76 | CYP3A4 (0.75) | MTORRAB9AGRM7CYP3A4ALOX15 | |
| SCHEMBL19471249 | 0.75 | ALDH1A1 (0.37) | MTORRAB9AGRM7CYP3A4ALOX15 | |
| SCHEMBL23033420 | 0.72 | MTOR (0.42) | MTORRAB9AGRM7CYP3A4ALOX15 | |
| SCHEMBL31164923 | 0.72 | CYP19A1 (0.39) | ALDH1A1POLBLMNA | |
| SCHEMBL4900306 | 0.72 | SIGMAR1 (0.44) | TSHRMAPK1LMNAHRH1 | |
| SCHEMBL17084132 | 0.70 | CYP19A1 (0.38) | RAB9AALDH1A1POLBLMNALATS1 | |
| SCHEMBL17084195 | 0.70 | CYP19A1 (0.38) | RAB9AALDH1A1POLBLMNALATS1 |
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-3233805-A1 | METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096127-A1 | METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2016-06-23 | — | — | WO | disclosed |