Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL517538 | 0.83 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27697949 | 0.82 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24572151 | 0.81 | KMT2A (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11157305 | 0.80 | ALDH1A1 (0.47) | POLBKMT2AMEN1GAATSHR | |
| SCHEMBL5167489 | 0.78 | KDM4E (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29445387 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL485070 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4627944 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8564502 | 0.77 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7671969 | 0.77 | CA12 (0.53) | 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 |