Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 3/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6592794 | 0.92 | TACR2 (0.39) | ALDH1A1TACR2TACR1MAPT | |
| SCHEMBL6597168 | 0.92 | TACR2 (0.39) | ALDH1A1TACR2HRH1TACR1TSHR | |
| SCHEMBL6598117 | 0.92 | TACR2 (0.46) | KDM4EALDH1A1MCL1L3MBTL1TACR2 | |
| SCHEMBL6595815 | 0.91 | HRH1 (0.41) | KDM4EALDH1A1MCL1L3MBTL1TACR2 | |
| SCHEMBL6597554 | 0.91 | TACR2 (0.39) | ALDH1A1TACR2TACR1MAPK1MAPT | |
| SCHEMBL6597322 | 0.91 | LMNA (0.41) | ALDH1A1TACR2HRH1TACR1TSHR | |
| SCHEMBL6595657 | 0.91 | TACR2 (0.38) | ALDH1A1TACR2TACR1MAPT | |
| SCHEMBL6599327 | 0.91 | TACR2 (0.49) | TACR2TACR1 | |
| SCHEMBL6594797 | 0.91 | TACR2 (0.40) | KDM4ETACR2TACR1MAPK1MAPT | |
| SCHEMBL6592554 | 0.91 | TACR2 (0.38) | TACR2HRH1TACR1DRD2DRD3 |
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-0888338-B1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | AVENTIS PHARMA INC (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-0888338-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030991-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |