Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | RARA | P10276 | 3/20 | 0.37 |
| ▸ | RARB | P10826 | 3/20 | 0.37 |
| ▸ | RARG | P13631 | 3/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4552651 | 1.00 | CYP1A2 (0.40) | CYP1A2RXRARXRBRXRGHMGCR | |
| SCHEMBL4172588 | 0.97 | CYP1A2 (0.41) | CYP1A2RXRARXRBRXRGHMGCR | |
| SCHEMBL4172590 | 0.97 | CYP1A2 (0.41) | CYP1A2RXRARXRBRXRGHMGCR | |
| SCHEMBL4176067 | 0.92 | TAAR1 (0.43) | CYP1A2RXRARXRBRXRGRARA | |
| SCHEMBL4176064 | 0.92 | TAAR1 (0.43) | CYP1A2RXRARXRBRXRGRARA | |
| Oxalic Acid SCHEMBL4175839 | 0.91 | CYP1A2 (0.47) | CYP1A2RXRARXRBRXRGHMGCR | |
| Oxalic Acid SCHEMBL4175842 | 0.91 | CYP1A2 (0.47) | CYP1A2RXRARXRBRXRGHMGCR | |
| SCHEMBL4171195 | 0.87 | CYP1A2 (0.45) | CYP1A2RXRARXRBRXRGRARA | |
| SCHEMBL4171193 | 0.87 | CYP1A2 (0.45) | CYP1A2RXRARXRBRXRGRARA | |
| SCHEMBL4412235 | 0.86 | CYP1A2 (0.44) | CYP1A2RXRARXRBRXRGHMGCR |
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-2076124-A2 | STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | Acucela, Inc. (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008131368-A2 | STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS | ACUCELA INC. (US) | 2008-10-30 | — | — | WO | disclosed |