Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.45 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710819 | 0.86 | MAOA (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Fluoride SCHEMBL9841585 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21531822 | 0.83 | HTR2C (0.42) | MAOAKIF11HTR2CHTR6DRD2 | |
| SCHEMBL1710556 | 0.79 | HTR6 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13459322 | 0.79 | MEN1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9189880 | 0.79 | HTR2C (0.44) | CYP1A2CYP2C9KIF11HTR2CHTR6 | |
| SCHEMBL25382633 | 0.78 | MAOA (0.56) | MAOAMAOBKIF11ALDH1A1DRD2 | |
| SCHEMBL223719 | 0.78 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10061751 | 0.77 | HTR2C (0.43) | KIF11HTR2CHTR6DRD2DRD3 | |
| SCHEMBL1710624 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-2344451-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | Acucela, Inc. (US) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010028088-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-03-11 | — | — | WO | disclosed |