Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 4/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158909 | 1.00 | CCR1 (0.42) | CCR1CCR8TGFBR1HTR1ADRD2 | |
| SCHEMBL21325568 | 1.00 | CCR1 (0.42) | CCR1CCR8TGFBR1HTR1ADRD2 | |
| SCHEMBL20158975 | 0.89 | CCR1 (0.47) | CCR1CCR8TGFBR1OPRM1OPRL1 | |
| SCHEMBL21325560 | 0.84 | CCR1 (0.52) | CCR1CCR8TGFBR1OPRM1OPRL1 | |
| SCHEMBL21315508 | 0.82 | CCR1 (0.48) | CCR1CCR8TGFBR1OPRM1OPRL1 | |
| SCHEMBL20158889 | 0.82 | CCR1 (0.48) | CCR1CCR8TGFBR1OPRM1OPRL1 | |
| SCHEMBL21325472 | 0.78 | TGFBR1 (0.39) | CCR1CCR8TGFBR1HTR1ADRD2 | |
| SCHEMBL20158907 | 0.78 | TGFBR1 (0.39) | CCR1CCR8TGFBR1HTR1ADRD2 | |
| SCHEMBL21375738 | 0.78 | TGFBR1 (0.39) | CCR1CCR8TGFBR1HTR1ADRD2 | |
| SCHEMBL17239444 | 0.76 | KMT2A (0.42) | ATRATRIPPDE1APDE1BPDE1C |
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 |
|---|---|---|---|---|---|---|---|
| CN-108779100-B | 3, 4-dipyridyl pyrazole derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-109983015-B | 6-pyrazole- [1,2,4] triazolo [4,3-a ] pyridine-3-amide derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-09-03 | — | — | CN | disclosed |