Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9860750 | 0.84 | PTGS2 (0.68) | ALOX5PTGS1PTGS2HDAC1HDAC8 | |
| SCHEMBL30989543 | 0.80 | CES2 (0.64) | CES2HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL1729135 | 0.78 | CES2 (0.52) | ALOX5PTGS1PTGS2CES2HDAC1 | |
| SCHEMBL9861093 | 0.76 | ALOX5 (0.65) | ALOX5PTGS1PTGS2CYP1A2CYP2D6 | |
| SCHEMBL9903856 | 0.74 | CES2 (0.55) | CES2HDAC1HDAC3HDAC2MMP1 | |
| SCHEMBL4508595 | 0.74 | CES2 (0.55) | CES2HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL23091832 | 0.73 | CES2 (0.64) | CES2HDAC8HDAC3HDAC6LMNA | |
| Tebufelone SCHEMBL43674 | 0.72 | PTGS2 (1.00) | ALOX5PTGS1PTGS2LMNAGAA | |
| SCHEMBL27250053 | 0.71 | CES2 (0.52) | CES2MMP1LMNAGAARXRA | |
| SCHEMBL19281439 | 0.71 | CES2 (0.61) | CES2HDAC8HDAC3HDAC6LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0251408-B1 | NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION | THE PROCTER & GAMBLE COMPANY (US) | 1991-04-17 | — | — | EP | claimed |
| US-4708966-A | SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1987-11-24 | — | — | US | claimed |
| EP-0251408-B1 | NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION | THE PROCTER & GAMBLE COMPANY (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4708966-A | SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1987-11-24 | — | — | US | disclosed |