Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | MIF | P14174 | 10/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2564569 | 0.81 | MIF (0.52) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL8762257 | 0.80 | MIF (0.42) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL12458267 | 0.79 | MIF (0.41) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL14926027 | 0.76 | MIF (0.45) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL2141390 | 0.74 | MIF (0.62) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL29616337 | 0.74 | MIF (0.62) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL1457250 | 0.73 | MIF (0.52) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL14692301 | 0.72 | KEAP1 (0.37) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL2947684 | 0.71 | MIF (0.46) | GABRA1GABRB2MIFTRPA1ALDH1A1 | |
| SCHEMBL14024290 | 0.71 | KAT2B (0.35) | SLC6A4CYP2D6SLC6A2SLC6A3PNMT |
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 |