Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9888836 | 0.87 | CA2 (0.45) | NLRP3USP2TSHRCA2 | |
| SCHEMBL9889022 | 0.87 | CA2 (0.45) | NLRP3USP2TSHRCA2 | |
| SCHEMBL22124638 | 0.87 | TRPA1 (0.32) | NLRP3USP2TSHRLMNA | |
| SCHEMBL14839605 | 0.87 | CA2 (0.45) | NLRP3USP2TSHRCA2 | |
| SCHEMBL13486833 | 0.87 | ALDH1A1 (0.39) | NLRP3USP2TSHRALDH1A1CA1 | |
| SCHEMBL27026975 | 0.87 | TSHR (0.50) | NLRP3USP2TSHRALDH1A1 | |
| SCHEMBL27026944 | 0.87 | PTGS1 (0.42) | NLRP3USP2TSHRLMNA | |
| SCHEMBL3437725 | 0.85 | — | — | |
| SCHEMBL10403686 | 0.85 | — | — | |
| SCHEMBL25374005 | 0.84 | USP2 (0.50) | NLRP3USP2TSHRKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882038-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997030990-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |
| WO-1996006094-A1 | NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-29 | — | — | WO | disclosed |