Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1063334 | 1.00 | CACNA1I (0.42) | CACNA1ISLC6A4SLC6A3CA12CA1 | |
| SCHEMBL12392104 | 1.00 | CACNA1I (0.42) | CACNA1ISLC6A4SLC6A3CA12CA1 | |
| Hydrochloric Acid SCHEMBL27772201 | 0.98 | CACNA1I (0.41) | CACNA1ISLC6A4SLC6A3CA12CA1 | |
| Hydrochloric Acid SCHEMBL1057145 | 0.98 | CACNA1I (0.41) | CACNA1ISLC6A4SLC6A3CA12CA1 | |
| SCHEMBL12190561 | 0.83 | CACNA1I (0.43) | CACNA1ISLC6A4CA12CA1CA2 | |
| SCHEMBL9987921 | 0.82 | PARP10 (0.39) | — | |
| SCHEMBL20207659 | 0.80 | CACNA1I (0.38) | CACNA1ISLC6A4CA12CA1CA2 | |
| SCHEMBL18531473 | 0.80 | CACNA1I (0.42) | CACNA1ISLC6A4CA12CA1CA2 | |
| SCHEMBL12892145 | 0.80 | CACNA1I (0.48) | CACNA1ISLC6A4CA12CA1CA2 | |
| SCHEMBL20793017 | 0.80 | CACNA1I (0.42) | CACNA1ISLC6A4CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |