Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.46 |
| ▸ | CES1 | P23141 | 7/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL29782972 | 1.00 | CES2 (0.46) | CES2CES1PARP1CA1CA2 | |
| SCHEMBL29902994 | 0.84 | CES2 (0.40) | CES2CES1PARP1CA1CA2 | |
| SCHEMBL30739599 | 0.84 | CES2 (0.38) | CES2CES1PARP1DGAT1 | |
| SCHEMBL2206232 | 0.84 | CES2 (0.40) | CES2CES1PARP1CA1CA2 | |
| SCHEMBL6818860 | 0.84 | PBRM1 (0.41) | CES2CES1PARP1IDO1 | |
| SCHEMBL201485 | 0.84 | HSD17B1 (0.44) | CES2CES1 | |
| SCHEMBL17275022 | 0.84 | CES2 (0.38) | CES2CES1PARP1DGAT1 | |
| SCHEMBL16555805 | 0.82 | DGAT1 (0.41) | CES2CES1PARP1CA1CA2 | |
| SCHEMBL9789269 | 0.82 | CCNB2 (0.38) | CES2CES1PARP1 | |
| SCHEMBL30632655 | 0.82 | DGAT1 (0.41) | CES2CES1PARP1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |
| EP-1303485-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |