Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268589 | 0.81 | HIF1A (0.50) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL6982772 | 0.78 | TRPA1 (0.47) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL803931 | 0.78 | SMN1; SMN2 (0.52) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL28972746 | 0.73 | HIF1A (0.46) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL9655631 | 0.73 | TSHR (0.32) | ALDH1A1CYP2C19SLC6A2CYP2D6TSHR | |
| SCHEMBL9731609 | 0.73 | ALDH1A1 (0.45) | CYP3A4ALDH1A1CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL26654265 | 0.73 | ALDH1A1 (0.54) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL6667248 | 0.73 | ALDH1A1 (0.54) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL11613765 | 0.72 | TRPA1 (0.41) | CYP3A4ALDH1A1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL8560965 | 0.71 | CNR2 (0.47) | ALDH1A1TRPA1SMN1; SMN2HIF1ACTSK |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38132-E1 | Phenylpyrrolidines, phenylimidazolidines,3-phenyl-1,3-oxizolidines and 3-phenyl-1,3-thiazolidines and their use in the treatment of inflammatory disease | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-03 | — | — | US | disclosed |
| EP-0966447-B1 | SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE | BOEHRINGER INGELHEIM PHARMA (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6355664-B1 | ADULT RESPIRATORY DISTRESS SYNDROME AND CARDIOVASCULAR DISORDERS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-03-12 | — | — | US | disclosed |
| CN-1249748-A | Small molecules useful in treatment of inflamatory disease | BOEHRINGER INGELHELM PHARMACEU (US) | 2000-04-05 | — | — | CN | disclosed |
| EP-0966447-A1 | SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998039303-A1 | SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-09-11 | — | — | WO | disclosed |