Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.44 |
| ▸ | CES2 | O00748 | 6/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3039302 | 0.86 | AKR1C1 (0.53) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL348321 | 0.86 | AKR1C1 (0.53) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL3039305 | 0.86 | AKR1C1 (0.53) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL6963015 | 0.85 | CYP3A4 (0.48) | CES1CES2AKR1C1MTNR1AMTNR1B | |
| SCHEMBL4755644 | 0.84 | CES2 (0.59) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL14764079 | 0.84 | CES1 (0.48) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL16246414 | 0.82 | MAPT (0.45) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL1028536 | 0.82 | MAPT (0.45) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL6558529 | 0.82 | AKR1C1 (0.46) | CES1CES2AKR1C1CA12CA1 | |
| SCHEMBL6973235 | 0.82 | CYP1A2 (0.47) | CES1CES2LMNACYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |