Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.34 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9215142 | 0.98 | CPB2 (0.32) | CPB2MAPK1L3MBTL1TRPA1ALDH1A1 | |
| SCHEMBL9213888 | 0.88 | ALDH1A1 (0.34) | MAPK1L3MBTL1TRPA1ALDH1A1CYP2D6 | |
| SCHEMBL9216487 | 0.80 | LCK (0.31) | — | |
| SCHEMBL1702872 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 | |
| SCHEMBL9695685 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 | |
| SCHEMBL4089564 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 | |
| SCHEMBL9697656 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 | |
| SCHEMBL1703436 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 | |
| SCHEMBL550000 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 | |
| SCHEMBL10792134 | 0.72 | TDP1 (0.47) | CPB2ZDHHC7MAPK1L3MBTL1TRPA1 |
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-0681582-A1 | PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-15 | — | — | EP | disclosed |
| WO-1994017069-A1 | PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE UPJOHN COMPANY (US) | 1994-08-04 | — | — | WO | disclosed |