Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 3/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7490724 | 0.70 | PTGS2 (0.67) | PTGS2GAALMNA | |
| SCHEMBL7256774 | 0.69 | PTGS2 (0.69) | PTGS2ELANECTSGPRTN3GAA | |
| SCHEMBL18328669 | 0.69 | PTGS2 (0.40) | PTGS2CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL6604456 | 0.68 | LDHA (0.48) | PTGS2CYP1A2CYP2C9MAPK1HIF1A | |
| SCHEMBL305339 | 0.66 | CALM1 (0.52) | CYP1A2CYP2C9MAPK1HIF1AELANE | |
| SCHEMBL10934636 | 0.66 | CYP1A2 (0.51) | CYP1A2CYP2C9MAPK1HIF1AELANE | |
| SCHEMBL7365793 | 0.66 | CYP1A2 (0.44) | CYP1A2CYP2C9MAPK1HIF1ASHBG | |
| SCHEMBL3895689 | 0.64 | TSHR (0.47) | CYP1A2CYP2C9MAPK1HIF1AIDH1 | |
| SCHEMBL1587776 | 0.64 | ELANE (0.42) | PTGS2ELANECTSGPRTN3L3MBTL1 | |
| SCHEMBL18805033 | 0.64 | ELANE (0.42) | PTGS2ELANECTSGPRTN3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0623606-B1 | Peptidic ketones as interleukin-1beta-converting enzyme inhibitors | SANOFI SA (FR) | 1998-01-07 | — | — | EP | disclosed |
| US-5462939-A | Peptidic ketones as interleukin-1β-converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0623606-A2 | Peptidic ketones as interleukin-1beta-converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1994-11-09 | — | — | EP | disclosed |