Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | CTSG | P08311 | 2/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.34 |
| ▸ | CMA1 | P23946 | 2/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6975887 | 1.00 | MMP8 (0.39) | MMP8TSHRTRPA1ALDH1A1RECQL | |
| SCHEMBL6982772 | 0.76 | TRPA1 (0.47) | MMP8TSHRTRPA1ALDH1A1RECQL | |
| SCHEMBL27827387 | 0.69 | CHRM3 (0.54) | ALDH1A1CYP2C19CYP2D6LMNA | |
| SCHEMBL6594704 | 0.67 | NPC1 (0.47) | TSHRTRPA1CYP1A2LMNA | |
| SCHEMBL868676 | 0.67 | PTPN2 (0.47) | MMP8TSHRTRPA1ALDH1A1RECQL | |
| SCHEMBL14350799 | 0.67 | ALDH1A1 (0.49) | ALDH1A1PTPRCPTPN1LMNA | |
| SCHEMBL16447717 | 0.67 | SLC6A2 (0.52) | TRPA1ALDH1A1RECQLCYP3A4CYP2C9 | |
| SCHEMBL21114340 | 0.67 | SMN1; SMN2 (0.47) | TSHRTRPA1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL4896464 | 0.66 | ALDH1A1 (0.51) | ALDH1A1FOLH1PTPRCPTPN1LMNA | |
| SCHEMBL5405068 | 0.66 | ALDH1A1 (0.51) | ALDH1A1FOLH1PTPRCPTPN1LMNA |
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 5 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 |
| 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 |