Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.37 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.37 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL23699255 | 0.78 | CTSK (0.44) | CTSSCTSK | |
| SCHEMBL23719091 | 0.78 | CTSK (0.44) | CTSSCTSK | |
| SCHEMBL7393237 | 0.78 | CYP1A2 (0.53) | SLC15A1ALDH1A1ABCB1ITGB3ITGA2B | |
| SCHEMBL30863382 | 0.76 | ABCB1 (0.49) | SYKPOLBALDH1A1ABCB1L3MBTL1 | |
| SCHEMBL14405551 | 0.75 | SLC15A1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4SLC15A1 | |
| SCHEMBL13687217 | 0.75 | ALDH1A1 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL23699429 | 0.74 | CYP1A2 (0.51) | HPGD | |
| SCHEMBL24602777 | 0.74 | ALDH1A1 (0.47) | SYKSLC15A1POLBLTA4HALDH1A1 | |
| SCHEMBL8226793 | 0.74 | ALDH1A1 (0.47) | SYKSLC15A1POLBLTA4HALDH1A1 | |
| SCHEMBL31220609 | 0.74 | L3MBTL1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4SYK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069349-B1 | PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-06-15 | — | — | EP | disclosed |