Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629395 | 0.81 | MEN1 (0.41) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL24006637 | 0.81 | MEN1 (0.41) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL12869835 | 0.81 | MEN1 (0.41) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL20021041 | 0.79 | CES2 (0.37) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL10069427 | 0.76 | ACHE (0.36) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL800711 | 0.76 | HRH4 (0.40) | POLBPTGS1ACHENISCH | |
| SCHEMBL15854044 | 0.73 | SLC6A4 (0.33) | POLB | |
| SCHEMBL13265123 | 0.73 | CYP11B1 (0.43) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL27885774 | 0.72 | PSEN1 (0.34) | CES2CES1POLBMEN1KMT2A | |
| SCHEMBL16952125 | 0.72 | PSEN1 (0.34) | CES2CES1POLBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | disclosed |