Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 7/20 | 0.44 |
| ▸ | MAOB | P27338 | 7/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3412418 | 0.86 | FFAR1 (0.49) | GSTP1MAOAMAOBFFAR1AKR1B1 | |
| SCHEMBL13433602 | 0.84 | PDE4B (0.45) | MAOAMAOBCYP11B1CYP11B2SYK | |
| SCHEMBL1929079 | 0.79 | SLC7A5 (0.57) | SYKSLC7A5 | |
| SCHEMBL13433610 | 0.79 | FFAR1 (0.43) | MMP3CYP11B1CYP11B2SYKFFAR1 | |
| SCHEMBL13433607 | 0.78 | HSP90AB1 (0.53) | MMP3CYP11B1CYP11B2SYKMAPK1 | |
| SCHEMBL12646569 | 0.78 | VDR (0.47) | MAOAMAOBFFAR1AKR1B1FFAR4 | |
| SCHEMBL3357160 | 0.78 | SLC7A5 (0.56) | SYKSLC7A5 | |
| SCHEMBL15803972 | 0.78 | GSTP1 (0.61) | GSTP1MAOAMAOBACHE | |
| SCHEMBL13433635 | 0.77 | ALDH1A1 (0.46) | CYP11B1CYP11B2SYKMAPK1FFAR4 | |
| SCHEMBL13460869 | 0.77 | SLC7A5 (0.49) | CYP11B1CYP11B2SYKMAPK1SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |