Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8597116 | 0.86 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2ITGAVEPHX2 | |
| SCHEMBL8554659 | 0.85 | HPGD (0.45) | NPC1RAB9ASMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL6598009 | 0.78 | TACR2 (0.48) | UTS2R | |
| SCHEMBL6595603 | 0.76 | CYP3A4 (0.42) | NPC1RAB9ASMN1; SMN2UTS2RCYP2D6 | |
| SCHEMBL6023534 | 0.73 | MTNR1A (0.49) | NPC1RAB9ASMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL28857049 | 0.72 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2UTS2RCYP2D6 | |
| SCHEMBL28663829 | 0.72 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2UTS2RCYP2D6 | |
| SCHEMBL8308083 | 0.71 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5525516 | 0.71 | CTSK (0.53) | ATM | |
| SCHEMBL4564262 | 0.69 | L3MBTL1 (0.59) | SMN1; SMN2 |
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 |