Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 9/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL100918 | 0.94 | AKR1C3 (0.46) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL101142 | 0.88 | AKR1C3 (0.53) | AKR1C3AKR1C2HCAR2RAB9AMEN1 | |
| SCHEMBL99615 | 0.87 | RAB9A (0.55) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL98704 | 0.84 | AKR1C3 (0.51) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL100652 | 0.83 | HCAR2 (0.44) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL99385 | 0.83 | LTB4R (0.61) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL100422 | 0.82 | HPGD (0.51) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL100288 | 0.82 | PTGDR2 (0.46) | AKR1C3AKR1C2HCAR2NPC1RAB9A | |
| SCHEMBL99215 | 0.81 | AKR1C3 (0.49) | AKR1C3AKR1C2HCAR2HPGDMEN1 | |
| SCHEMBL100635 | 0.81 | MEN1 (0.48) | AKR1C3AKR1C2HCAR2NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |