Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 11/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL102617 | 0.95 | HCAR2 (0.39) | HCAR2NPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL101458 | 0.91 | HCAR2 (0.45) | HCAR2RAB9AMEN1KMT2AAKR1C3 | |
| SCHEMBL102082 | 0.90 | RAB9A (0.44) | HCAR2NPC1RAB9ASMN1; SMN2AKR1C3 | |
| SCHEMBL102147 | 0.89 | LTB4R (0.44) | HCAR2HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL98766 | 0.88 | LTB4R (0.52) | HCAR2HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL99813 | 0.87 | HCAR2 (0.44) | HCAR2RAB9A | |
| SCHEMBL100322 | 0.87 | HPGD (0.44) | HCAR2NPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL101812 | 0.85 | PTGDR2 (0.42) | HCAR2NPC1RAB9A | |
| SCHEMBL99078 | 0.85 | HCAR2 (0.42) | HCAR2RAB9AHPGDMEN1KMT2A | |
| SCHEMBL663614 | 0.85 | CHRM3 (0.49) | — |
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 |