Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL351810 | 0.93 | CA1 (0.58) | LTA4HCA1CA2ENPP2CA7 | |
| SCHEMBL28085474 | 0.85 | SMN1; SMN2 (0.61) | LTA4HENPP2ALDH1A1MEN1KMT2A | |
| SCHEMBL29141449 | 0.83 | CA1 (0.48) | LTA4HCA1CA2ENPP2CA7 | |
| SCHEMBL28600111 | 0.81 | CA1 (0.52) | LTA4HCA1CA2ENPP2CA7 | |
| SCHEMBL3800806 | 0.80 | CA1 (0.38) | CA1CA2ENPP2CA7CA9 | |
| SCHEMBL166536 | 0.80 | CA1 (0.79) | LTA4HCA1CA2CA7CA9 | |
| SCHEMBL11580995 | 0.80 | CA1 (0.79) | LTA4HCA1CA2CA7CA9 | |
| SCHEMBL83811 | 0.80 | CA1 (0.79) | LTA4HCA1CA2CA7CA9 | |
| SCHEMBL2762065 | 0.79 | CA1 (0.61) | LTA4HCA1CA2CA9PARP10 | |
| SCHEMBL6661512 | 0.78 | IDO1 (0.50) | CA1CA2ENPP2HTTTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279172-A | Purinone compound as inhibitors of kinases | 药品循环有限责任公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104640861-B | Purinone compounds as kinase inhibitors | 药品循环公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104844609-B | The irreversible bruton's tyrosine kinase inhibitor of dibit point | 杭州和正医药有限公司 | 2016-07-13 | — | — | CN | disclosed |