Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4092031 | 0.95 | CA12 (0.46) | MAPTNPSR1KDM4ECA12CA1 | |
| SCHEMBL2654355 | 0.90 | CA12 (0.48) | MAPTNPSR1KDM4ECA12CA1 | |
| SCHEMBL4606214 | 0.86 | SMN1; SMN2 (0.52) | MAPTCA12CA1CA2ESR1 | |
| SCHEMBL6211594 | 0.83 | MAPT (0.53) | MAPTNPSR1KDM4ECA12CA1 | |
| SCHEMBL4090477 | 0.82 | CYP4F2 (0.59) | MAPTCA2SMN1; SMN2CYP4A11CYP4F2 | |
| SCHEMBL2313218 | 0.80 | MAPT (0.54) | MAPTNPSR1KDM4ECA12CA1 | |
| SCHEMBL4079236 | 0.79 | CYP4A11 (0.50) | MAPTKDM4ECA12CA1CA2 | |
| SCHEMBL7965253 | 0.76 | HDAC3 (0.55) | CA12CA1CA7CA14KMT2A | |
| SCHEMBL2652477 | 0.76 | SMN1; SMN2 (0.57) | MAPTNPSR1CA12CA1CA2 | |
| SCHEMBL29347311 | 0.75 | THRA (0.41) | MAPTCA12CA1CA2ESR1 |
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-1940799-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007047676-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-04-26 | — | — | WO | disclosed |