Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL99701 | 0.94 | AKR1C3 (0.53) | AKR1C3AKR1C2HCAR2MEN1KMT2A | |
| SCHEMBL100635 | 0.88 | MEN1 (0.48) | AKR1C3AKR1C2HDAC1HCAR2MEN1 | |
| SCHEMBL101215 | 0.87 | NPC1 (0.47) | AKR1C3AKR1C2HDAC1HCAR2MEN1 | |
| SCHEMBL98803 | 0.85 | POLB (0.50) | AKR1C3AKR1C2HDAC1MEN1KMT2A | |
| SCHEMBL101223 | 0.84 | HDAC1 (0.51) | AKR1C3AKR1C2HDAC1MEN1KMT2A | |
| SCHEMBL102617 | 0.84 | HCAR2 (0.39) | HDAC1HCAR2MEN1KMT2ATRPV1 | |
| SCHEMBL101227 | 0.83 | NPC1 (0.45) | HDAC1HCAR2MEN1KMT2ATRPV1 | |
| SCHEMBL101634 | 0.83 | POLB (0.46) | MEN1KMT2ATRPV1NPC1RAB9A | |
| SCHEMBL99412 | 0.82 | HCAR2 (0.47) | AKR1C3AKR1C2HDAC1HCAR2MEN1 | |
| SCHEMBL101142 | 0.81 | AKR1C3 (0.53) | AKR1C3AKR1C2HCAR2MEN1KMT2A |
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 |