Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7549946 | 1.00 | TRPA1 (0.49) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| SCHEMBL5833581 | 0.90 | TRPA1 (0.56) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| SCHEMBL2921490 | 0.86 | TRPA1 (0.53) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| Hydrochloric Acid SCHEMBL8852295 | 0.84 | TRPA1 (0.51) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| SCHEMBL3115450 | 0.82 | TRPA1 (0.58) | TRPA1TRPV1HDAC3MAPK1ADRA1A | |
| SCHEMBL20019603 | 0.82 | TDP1 (0.52) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| SCHEMBL7285852 | 0.82 | TDP1 (0.52) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| SCHEMBL19682101 | 0.82 | TRPA1 (0.67) | TRPA1TRPV1SIGMAR1MAOA | |
| SCHEMBL3652085 | 0.81 | SIGMAR1 (0.49) | TRPA1TRPV1GRIK1HDAC3MAPK1 | |
| SCHEMBL14402447 | 0.81 | SIGMAR1 (0.49) | TRPA1TRPV1GRIK1HDAC3MAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0662958-B1 | 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS | VERTEX PHARMA (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-0584223-B1 | NOVEL IMMUNOSUPPRESSIVE COMPOUNDS | VERTEX PHARMA (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5723459-A | IMMUNOSUPPRESSANTS FOR MULTIDRUG RESISTANCE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1998-03-03 | — | — | US | disclosed |
| US-5620971-A | Biologically active acylated amino acid derivatives | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-04-15 | — | — | US | disclosed |
| EP-0662958-A1 | 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994007858-A1 | 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1994-04-14 | — | — | WO | disclosed |
| EP-0584223-A1 | NOVEL IMMUNOSUPPRESSIVE COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1994-03-02 | — | — | EP | disclosed |
| WO-1992019593-A1 | NOVEL IMMUNOSUPPRESSIVE COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1992-11-12 | — | — | WO | disclosed |