Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL14294198 | 0.83 | RAB9A (0.51) | SMPD1ALDH1A1CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL323763 | 0.80 | SMPD1 (0.44) | SMPD1CA12CA1CA2CA9 | |
| SCHEMBL19510957 | 0.80 | NPC1 (0.41) | ALDH1A1CYP19A1 | |
| SCHEMBL14228524 | 0.79 | SMPD1 (0.47) | SMPD1ALDH1A1HRH3CYP1A2CYP19A1 | |
| SCHEMBL21383897 | 0.77 | POLB (0.37) | SMPD1 | |
| SCHEMBL6128431 | 0.76 | SMPD1 (0.44) | SMPD1ALDH1A1HRH3CYP1A2CYP19A1 | |
| SCHEMBL10194129 | 0.76 | SMPD1 (0.51) | SMPD1ALDH1A1HRH3CYP1A2CYP19A1 | |
| SCHEMBL19511127 | 0.75 | SMPD1 (0.38) | SMPD1 | |
| SCHEMBL1941686 | 0.74 | KMT2A (0.51) | ALDH1A1 | |
| SCHEMBL10288677 | 0.74 | SMPD1 (0.43) | SMPD1ALDH1A1HRH3CYP1A2CYP19A1 |
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-2590944-B1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |