Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.65 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.65 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.65 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.65 |
| ▸ | ALB | P02768 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.65 |
| ▸ | RARB | P10826 | 1/20 | 0.65 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.65 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.65 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL6848221 | 0.85 | PTGS2 (0.61) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL5326026 | 0.85 | PTGS2 (0.67) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11327771 | 0.84 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL59197 | 0.81 | PTGS2 (0.74) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL29390746 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL1512673 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL2883757 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL9792885 | 0.79 | PTGS2 (0.62) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL8779732 | 0.79 | PTGS1 (0.83) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Ibuprofen SCHEMBL28580388 | 0.79 | PTGS1 (0.83) | PTGS2PTGS1AKR1C3LMNACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107365297-A | A kind of Preparation Method And Their Intermediate of the benzyl propionate derivant of 2 methyl 2 ' | 罗欣生物科技（上海）有限公司 | 2017-11-21 | — | — | CN | disclosed |
| US-8551978-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2013-10-08 | — | — | US | disclosed |
| US-8138345-B2 | Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity | THERAVANCE, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2421849-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |