Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL232872 | 0.91 | TAAR1 (0.40) | DRD2DRD1TAAR1CYP1A2CYP2D6 | |
| SCHEMBL234830 | 0.81 | MAOA (0.46) | ASIC3MAOAAOC3HTR6PTGES | |
| SCHEMBL236614 | 0.79 | ASIC3 (0.45) | ASIC3DRD2DRD1TAAR1CYP2D6 | |
| SCHEMBL232937 | 0.78 | HTR2C (0.47) | ASIC3DRD2DRD1TAAR1CYP1A2 | |
| SCHEMBL15138999 | 0.78 | MAOA (0.50) | HTR7DRD2DRD1TAAR1CYP1A2 | |
| SCHEMBL18917596 | 0.77 | CYP4F2 (0.40) | ASIC3HTR2CHTR2B | |
| SCHEMBL235456 | 0.77 | HTR2C (0.52) | ASIC3DRD2DRD1TAAR1CYP1A2 | |
| SCHEMBL11485198 | 0.76 | ALDH1A1 (0.44) | ASIC3CYP1A2CYP2C19MAOAPTGES | |
| SCHEMBL2754659 | 0.76 | TAAR1 (0.40) | TAAR1CYP2D6MAOAHTR6CYP2A6 | |
| SCHEMBL236765 | 0.76 | MAOA (0.47) | CYP1A2CYP2C19MAOAHTR6 |
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 | disclosed |
| WO-2009005794-A2 | ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2009-01-08 | — | — | WO | disclosed |