Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 5/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943915 | 0.91 | CA1 (0.49) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL9943815 | 0.84 | MAPK1 (0.51) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL6209765 | 0.80 | CYP3A4 (0.43) | PARP1MAPK1HSD17B10CES2CES1 | |
| SCHEMBL9943796 | 0.79 | L3MBTL1 (0.55) | RAB9ACES2CES1MAPTKMT2A | |
| SCHEMBL9943580 | 0.77 | CYP3A4 (0.50) | MAPK1CES2CES1GSK3BKMT2A | |
| SCHEMBL14678383 | 0.77 | CA1 (0.58) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL10399155 | 0.74 | CA1 (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL10399151 | 0.74 | CA1 (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28402016 | 0.74 | NR1I2 (0.46) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL10357853 | 0.72 | NQO2 (0.47) | CA1CA2CES2CES1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2464368-A1 | CATHEPSIN C INHIBITORS | Glaxo Group Limited (GB) | 2012-06-20 | — | — | EP | claimed |
| EP-2464368-A1 | CATHEPSIN C INHIBITORS | Glaxo Group Limited (GB) | 2012-06-20 | — | — | EP | disclosed |