Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8434852 | 0.90 | MEN1 (0.38) | AKR1C3PTGS2AKR1C2AKR1C1MEN1 | |
| SCHEMBL2219869 | 0.89 | AKR1C3 (0.57) | AKR1C3PTGS2AKR1C2AKR1C1CYP1A2 | |
| SCHEMBL8521003 | 0.88 | PTGS2 (0.45) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL8428502 | 0.83 | PTGS2 (0.38) | AKR1C3PTGS2AKR1C2AKR1C1MEN1 | |
| SCHEMBL2223120 | 0.81 | PTGS2 (0.38) | AKR1C3PTGS2AKR1C2AKR1C1MEN1 | |
| SCHEMBL8506321 | 0.81 | PTGS2 (0.38) | AKR1C3PTGS2AKR1C2AKR1C1MEN1 | |
| SCHEMBL6472251 | 0.81 | AKR1C3 (0.47) | AKR1C3PTGS2AKR1C2AKR1C1MEN1 | |
| SCHEMBL6472900 | 0.81 | AKR1C3 (0.47) | AKR1C3PTGS2AKR1C2AKR1C1MEN1 | |
| SCHEMBL15571317 | 0.79 | AKR1C3 (0.52) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL10739997 | 0.79 | CA1 (0.39) | PTGS2AKR1C2AKR1C1 |
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-1893190-A2 | METHODS AND COMPOSITIONS FOR TREATING PAIN | Theraquest Biosciences, LLC (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006116626-A2 | METHODS AND COMPOSITIONS FOR TREATING PAIN | THERAQUEST BIOSCIENCES LLC (US) | 2006-11-02 | — | — | WO | disclosed |