Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL101227 | 0.95 | NPC1 (0.45) | PTGDR2HCAR2RORCMAPTMEN1 | |
| SCHEMBL100326 | 0.88 | HCAR2 (0.46) | HCAR2MAPTGAAAKR1C3AKR1C2 | |
| SCHEMBL100587 | 0.88 | RORC (0.46) | HCAR2RORCMAPTGAAAKR1C3 | |
| SCHEMBL98704 | 0.86 | AKR1C3 (0.51) | HCAR2RORCMAPTGAAAKR1C3 | |
| SCHEMBL99091 | 0.85 | RAB9A (0.51) | MAPTGAAMEN1KMT2ANPC1 | |
| SCHEMBL101812 | 0.84 | PTGDR2 (0.42) | PTGDR2HCAR2RORCMAPTNPC1 | |
| SCHEMBL99215 | 0.83 | AKR1C3 (0.49) | HCAR2MAPTGAAAKR1C3AKR1C2 | |
| SCHEMBL99701 | 0.82 | AKR1C3 (0.53) | HCAR2AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL101223 | 0.81 | HDAC1 (0.51) | MAPTAKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL662760 | 0.81 | CHRM3 (0.54) | — |
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 |