Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.37 |
| ▸ | BMP1 | P13497 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17914544 | 0.81 | MCHR1 (0.52) | CYP2D6CYP2C9CYP2C19RIPK1MCHR1 | |
| SCHEMBL3971600 | 0.75 | SIGMAR1 (0.52) | CYP1A2HTTBCHE | |
| SCHEMBL23058768 | 0.74 | CYP19A1 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL17914545 | 0.73 | PYCR1 (0.44) | NPSR1HTTMCHR1BCHEHRH3 | |
| SCHEMBL23961651 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL170943 | 0.73 | BCHE (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL13025108 | 0.72 | PDE2A (0.39) | RIPK1HTTHDAC3HDAC6 | |
| SCHEMBL23058770 | 0.72 | HDAC3 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19MCHR1 | |
| SCHEMBL126441 | 0.71 | TRPA1 (0.46) | CYP1A2RIPK1HTT | |
| SCHEMBL20871279 | 0.71 | APLNR (0.49) | MCHR1BCHESLC6A4 |
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-2021041588-A1 | SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-03-04 | — | — | WO | disclosed |