Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18440455 | 0.81 | DPP4 (0.42) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL25249338 | 0.77 | KEAP1 (0.38) | TACR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL14415547 | 0.76 | SLC6A2 (0.56) | TACR1HTR2ASLC6A4CYP2D6SLC6A2 | |
| SCHEMBL31147347 | 0.75 | POLB (0.39) | SLC6A4SLC6A3 | |
| SCHEMBL6996455 | 0.73 | SLC6A2 (0.51) | TACR1HTR2ASLC6A4CYP2D6SLC6A2 | |
| SCHEMBL17861568 | 0.73 | HTR2A (0.53) | TACR1HTR2ASLC6A4CYP2D6SLC6A2 | |
| SCHEMBL27714635 | 0.72 | TACR1 (0.53) | TACR1HTR2ASLC6A4CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL6991487 | 0.72 | SLC6A2 (0.50) | TACR1HTR2ASLC6A4CYP2D6SLC6A2 | |
| SCHEMBL27446552 | 0.71 | GAA (0.33) | — | |
| SCHEMBL6990563 | 0.70 | TACR2 (0.47) | TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1080262-C | Novel substituted 4-(1H-benzimidazol-2-YL) [1,4] diazepanes useful for the treatment of allergic diseases | HOECHST MARION ROUSSEL INC (US) | 2002-03-06 | — | — | CN | disclosed |
| CN-1207097-A | Novel substituted 4- (1H-benzimidazol-2-yl) [1,4] diazepanes useful for the treatment of allergic diseases | HOECHST MARION ROUSSEL INC (US) | 1999-02-03 | — | — | CN | disclosed |