Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | TLR9 | Q9NR96 | 5/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL22280267 | 0.88 | NR1H4 (0.49) | NR1H4TLR9TLR8TLR7MAOA | |
| SCHEMBL22280442 | 0.82 | NPC1 (0.48) | NR1H4TLR9TLR8TLR7MAOA | |
| SCHEMBL22280558 | 0.81 | NR1H4 (0.47) | NR1H4TLR9TLR8TLR7MAOA | |
| SCHEMBL22280448 | 0.81 | NR1H4 (0.47) | NR1H4TLR9TLR8TLR7MAOA | |
| Hydrochloric Acid SCHEMBL22266083 | 0.80 | NR1H4 (0.47) | NR1H4TLR9TLR8TLR7MAOA | |
| Hydrochloric Acid SCHEMBL22266080 | 0.80 | NR1H4 (0.47) | NR1H4TLR9TLR8TLR7MAOA | |
| SCHEMBL22280447 | 0.80 | NR1H4 (0.44) | NR1H4TLR9TLR8TLR7MAOA | |
| Hydrochloric Acid SCHEMBL22265296 | 0.79 | NR1H4 (0.43) | NR1H4TLR9TLR8TLR7MAOA | |
| SCHEMBL22280324 | 0.77 | NPC1 (0.66) | NR1H4TLR9TLR8TLR7MAOA | |
| SCHEMBL22280323 | 0.77 | NPC1 (0.66) | NR1H4TLR9TLR8TLR7MAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020154431-A1 | INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY | LYNCH KEVIN R (US) | 2020-07-30 | — | — | WO | disclosed |