Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | HTR1D | P28221 | 3/20 | 0.37 |
| ▸ | HRH1 | P35367 | 7/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9835190 | 0.88 | HTR1A (0.35) | HTR1AHTR1DHRH1HTR2ACHRM2 | |
| SCHEMBL9834580 | 0.87 | HRH1 (0.36) | HTR1AHTR1DHRH1CHRM2CHRM4 | |
| SCHEMBL9835645 | 0.84 | ALDH1A1 (0.37) | HTR1AHTR1DHRH1HTR2ACHRM2 | |
| SCHEMBL11016897 | 0.83 | CYP2C19 (0.36) | CYP2C19HRH1HTR2ACHRM2CHRM4 | |
| SCHEMBL9836563 | 0.79 | ADRA2C (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9837035 | 0.78 | OPRL1 (0.42) | HTR1AHTR1DLMNACYP2D6 | |
| SCHEMBL9836619 | 0.77 | CXCR4 (0.42) | CYP2C19CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9836246 | 0.74 | MTNR1A (0.40) | HTR1AHTR1DALDH1A1LMNATSHR | |
| SCHEMBL11010608 | 0.72 | OPRL1 (0.33) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9836832 | 0.72 | ALDH1A1 (0.34) | ALDH1A1LMNATSHRGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0129879-B1 | A [1] benzepino(3,4-b)pyridine derivative | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-09-11 | — | — | EP | claimed |
| US-4547496-A | Antiulcer [1] benzepino[3,4-b]pyridine and compositions | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-10-15 | — | — | US | claimed |
| EP-0129879-A2 | A [1] benzepino(3,4-b)pyridine derivative | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-01-02 | — | — | EP | claimed |
| US-4547496-A | Antiulcer [1] benzepino[3,4-b]pyridine and compositions | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-10-15 | — | — | US | disclosed |