Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27785064 | 0.84 | PDE4D (0.42) | MAPKAPK2CYP17A1HIF1ALMNASLC6A3 | |
| SCHEMBL4600817 | 0.83 | SLC6A2 (0.54) | MAPK1ROCK1AURKBLMNAKDM4E | |
| SCHEMBL27807251 | 0.77 | SLC6A2 (0.36) | CYP17A1CYP2C9LMNAKDM4ECYP11B1 | |
| SCHEMBL27807128 | 0.76 | HIF1A (0.39) | HIF1AADRB1ADRA1ACYP3A4LMNA | |
| SCHEMBL27785133 | 0.75 | P4HB (0.44) | HIF1AADRA1ALMNAKDM4EADRA2B | |
| SCHEMBL8295165 | 0.74 | ABCG2 (0.48) | MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL8295353 | 0.74 | NR1H4 (0.45) | CYP2C9CYP3A4LMNAKDM4ETSHR | |
| SCHEMBL5843644 | 0.73 | LMNA (0.48) | HIF1ACYP19A1ADRB1ADRA1ACYP3A4 | |
| SCHEMBL28832992 | 0.73 | CYP3A4 (0.35) | CYP17A1MAPK1CYP19A1CYP3A4KDM4E | |
| SCHEMBL28837739 | 0.73 | CYP19A1 (0.57) | MAPK1CYP19A1CYP3A4RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101784188-B | Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders | ACUCELA INC | 2014-02-12 | — | — | CN | disclosed |
| CN-101784188-A | Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders | ACUCELA INC | 2010-07-21 | — | — | CN | disclosed |