Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 12/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | UGT2B7 | P16662 | 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 | |
|---|---|---|---|---|
| SCHEMBL8597114 | 0.86 | IKBKB (0.39) | CYP2D6IKBKBKDM4EALDH1A1 | |
| SCHEMBL8554657 | 0.85 | CCR5 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL8308087 | 0.71 | NPC1 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL6598009 | 0.70 | TACR2 (0.48) | — | |
| SCHEMBL4564260 | 0.70 | IKBKB (0.52) | SLC6A3CYP3A4IKBKBKDM4EALDH1A1 | |
| SCHEMBL16550376 | 0.69 | CYP2D6 (0.70) | CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL7968840 | 0.68 | CYP1A2 (0.41) | CYP2D6KDM4EALDH1A1 | |
| SCHEMBL1018417 | 0.67 | KDM4E (0.44) | SLC6A3CYP3A4IKBKBKDM4EALDH1A1 | |
| SCHEMBL17471762 | 0.66 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL17455294 | 0.66 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |