Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14141692 | 0.77 | CYP2A6 (0.37) | ALDH1A1 | |
| SCHEMBL23827189 | 0.73 | AHR (0.65) | AHRALDH1A1CYP1B1CYP3A4HPGD | |
| SCHEMBL4450504 | 0.68 | AHR (0.65) | AHRALDH1A1CYP1B1CYP3A4HPGD | |
| SCHEMBL58243 | 0.68 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL7508880 | 0.67 | HSD17B10 (0.41) | ALDH1A1HSD17B10 | |
| SCHEMBL30226161 | 0.67 | AHR (0.56) | AHRALDH1A1CYP1B1CYP3A4HPGD | |
| SCHEMBL4449577 | 0.67 | AHR (0.56) | AHRALDH1A1CYP1B1CYP3A4HPGD | |
| SCHEMBL2906064 | 0.66 | AHR (0.67) | AHRALDH1A1CYP1B1CYP3A4HPGD | |
| SCHEMBL4459925 | 0.66 | AHR (1.00) | AHRALDH1A1CYP1B1CYP3A4HPGD | |
| SCHEMBL23827190 | 0.64 | AHR (0.67) | AHRALDH1A1CYP1B1CYP3A4HPGD |
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-2321303-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010027875-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2010-03-11 | — | — | WO | disclosed |