Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.30 |
| ▸ | DRD1 | P21728 | 2/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | DRD3 | P35462 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL90793 | 1.00 | NCF1 (0.44) | NCF1CYP2D6CYP1A2CHRM2CHRM1 | |
| SCHEMBL23841452 | 1.00 | NCF1 (0.44) | NCF1CYP2D6CYP1A2CHRM2CHRM1 | |
| SCHEMBL17286011 | 0.88 | HRH3 (0.39) | NCF1CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL7853848 | 0.88 | HRH3 (0.39) | NCF1CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL17285991 | 0.88 | HRH3 (0.39) | NCF1CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL793180 | 0.88 | NCF1 (0.52) | NCF1LSSGNAI3GNAO1GNAI1 | |
| SCHEMBL17830114 | 0.86 | CHRM5 (0.37) | NCF1CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL14820100 | 0.82 | — | — | |
| SCHEMBL23841454 | 0.80 | NCF1 (0.45) | NCF1CYP2D6CYP1A2CHRM2CHRM1 | |
| SCHEMBL16442184 | 0.80 | NCF1 (0.45) | NCF1CYP2D6CYP1A2CHRM2CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022258622-A1 | COMBINATION TREATMENT OF CANCER | ARES TRADING S.A. (CH) | 2022-12-15 | — | — | WO | disclosed |
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | disclosed |
| WO-2022133034-A1 | METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2022-06-23 | — | — | WO | disclosed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |