Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | GRM6 | O15303 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8493097 | 0.85 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27718440 | 0.82 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10562280 | 0.80 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2339088 | 0.79 | CA12 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4625495 | 0.79 | TSHR (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11414720 | 0.78 | NR1H2 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30294312 | 0.78 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1671664 | 0.78 | LMNA (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22852766 | 0.78 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1189683 | 0.78 | CA12 (0.56) | CA12CA1CA2CA7CA9 |
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-101146806-A | Pyrazole derivatives for the inhibition of CDK and GSK | ASTEX THERAPEUTICS LTD (GB) | 2008-03-19 | — | — | CN | disclosed |