Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 7/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495536 | 0.88 | ADORA2A (0.50) | DHFRPPARATDP1L3MBTL1TLR8 | |
| SCHEMBL12496398 | 0.84 | ADORA2A (0.57) | DHFRPPARATDP1L3MBTL1TLR8 | |
| SCHEMBL12496119 | 0.83 | ADORA2A (0.49) | DHFRPPARATDP1L3MBTL1TLR8 | |
| SCHEMBL12496114 | 0.82 | TLR8 (0.46) | PPARATDP1L3MBTL1TLR8ADORA2A | |
| SCHEMBL12496127 | 0.80 | KDM4E (0.48) | PPARATLR8ADORA2AADORA1CYP2D6 | |
| SCHEMBL12496003 | 0.79 | CYP3A4 (0.50) | DHFRPPARATLR8ADORA2AADORA1 | |
| SCHEMBL12495799 | 0.79 | ADORA2A (0.46) | PPARATDP1TLR8ADORA2AADORA1 | |
| SCHEMBL21313209 | 0.78 | CYP2A6 (0.48) | PPARAL3MBTL1TLR8ADORA2AADORA1 | |
| SCHEMBL21313265 | 0.78 | ADORA2A (0.46) | PPARATDP1L3MBTL1TLR8ADORA2A | |
| SCHEMBL16223070 | 0.78 | CYP3A4 (0.50) | PPARATDP1L3MBTL1TLR8ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015069752-A9 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-07-09 | — | — | WO | disclosed |
| WO-2015069752-A1 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-14 | — | — | WO | disclosed |