Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1741093 | 1.00 | CNKSR1 (0.41) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL2473600 | 1.00 | CNKSR1 (0.41) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL2473599 | 1.00 | CNKSR1 (0.41) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL2469697 | 0.92 | CNKSR1 (0.44) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL2469698 | 0.92 | CNKSR1 (0.44) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL2460666 | 0.92 | CNKSR1 (0.44) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL2460667 | 0.92 | CNKSR1 (0.44) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL13262977 | 0.85 | CNKSR1 (0.43) | CNKSR1TTRDPP4CA12CA1 | |
| SCHEMBL12129706 | 0.79 | TTR (0.38) | TTRCA12CA1CA2CA7 | |
| SCHEMBL13262958 | 0.79 | ESR1 (0.51) | TTRDPP4CA12CA1CA2 |
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-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |