Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 5/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL236101 | 0.84 | CYP2D6 (0.32) | CYP2D6HRH3HRH4PTGES | |
| SCHEMBL2151068 | 0.81 | CYP2D6 (0.32) | CYP2D6HRH3HRH4PTGES | |
| SCHEMBL232700 | 0.80 | ENPP2 (0.39) | CYP2D6HRH3HRH4PTGESPNMT | |
| SCHEMBL18097919 | 0.80 | CYP2D6 (0.31) | CYP2D6HRH3HRH4PTGES | |
| SCHEMBL236218 | 0.78 | TAAR1 (0.41) | CYP2D6HRH3HRH4HTR2CTAAR1 | |
| SCHEMBL15461600 | 0.77 | LPL (0.40) | CYP2D6HRH3HRH4PTGES | |
| SCHEMBL237579 | 0.76 | PNMT (0.43) | PNMTTAAR1 | |
| SCHEMBL233818 | 0.76 | CYP2D6 (0.36) | CYP2D6HRH3HRH4PTGES | |
| SCHEMBL237580 | 0.76 | PNMT (0.43) | PNMTTAAR1 | |
| SCHEMBL236169 | 0.76 | KIF11 (0.35) | CYP2D6HRH3HRH4PTGESTAAR1 |
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-2076122-A2 | ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | Acucela, Inc. (US) | 2009-07-08 | — | — | EP | claimed |
| WO-2009005794-A2 | ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2009-01-08 | — | — | WO | claimed |