Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 3/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL30393405 | 0.75 | NPC1 (0.66) | PDE10AADORA3ADORA1MAPTKDM4E | |
| SCHEMBL22987511 | 0.75 | ADORA3 (0.45) | PDE10AADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL22987922 | 0.73 | CSNK1A1 (0.45) | PDE10AADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL18948427 | 0.73 | PDE10A (0.63) | PDE10AADORA3ADORA1KDM4EMAPK1 | |
| SCHEMBL22987598 | 0.72 | GABRP (0.63) | ADORA3KDM4EPOLBHSD17B10 | |
| SCHEMBL24209870 | 0.72 | ADORA3 (0.71) | ADORA3ADORA1ADORA2AADORA2BCSNK1A1 | |
| SCHEMBL22988309 | 0.72 | ADORA3 (0.53) | ADORA3ADORA1ADORA2AMAPTKDM4E | |
| SCHEMBL22988304 | 0.72 | ADORA3 (0.65) | ADORA3ADORA1ADORA2AMAPTKDM4E | |
| SCHEMBL25118862 | 0.72 | CSNK1A1 (0.54) | PDE10AADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL743593 | 0.70 | RXFP1 (0.58) | ADORA3ADORA1ADORA2AMAPTPOLB |
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-2021028382-A1 | [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-02-18 | — | — | WO | disclosed |