Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348696 | 1.00 | SRD5A1 (0.43) | SRD5A1FFAR1ESR1ESR2HTR6 | |
| SCHEMBL12048689 | 1.00 | SRD5A1 (0.43) | SRD5A1FFAR1ESR1ESR2HTR6 | |
| SCHEMBL5477872 | 0.91 | HTR6 (0.48) | HTR6 | |
| SCHEMBL13079759 | 0.81 | ESR1 (0.60) | FFAR1ESR1ESR2CYP3A4PPARD | |
| SCHEMBL12060384 | 0.81 | ESR1 (0.60) | FFAR1ESR1ESR2CYP3A4PPARD | |
| SCHEMBL4077603 | 0.79 | FFAR1 (0.60) | FFAR1PPARDPPARA | |
| SCHEMBL12048691 | 0.78 | ESR1 (0.45) | SRD5A1FFAR1ESR1ESR2HTR6 | |
| SCHEMBL8348272 | 0.78 | ESR1 (0.45) | SRD5A1FFAR1ESR1ESR2HTR6 | |
| SCHEMBL13850085 | 0.78 | SRD5A1 (0.46) | SRD5A1ESR1ESR2HTR6CYP17A1 | |
| SCHEMBL8015012 | 0.77 | PPARD (0.39) | SRD5A1FFAR1ESR1ESR2PPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7345065-B2 | Methods and compositions for alleviating pain | ALLERGAN, INC. (US) | 2008-03-18 | — | — | US | disclosed |
| US-7345065-B2 | Methods and compositions for alleviating pain | ALLERGAN, INC. (US) | 2008-03-18 | — | — | US | disclosed |
| WO-2003099289-A2 | COMPOSITIONS AND THEIR USES FOR ALLEVIATING PAIN | ALLERGAN, INC. (US) | 2003-12-04 | — | — | WO | disclosed |