Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 7/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11016894 | 0.89 | CYP2D6 (0.37) | CYP2C19HRH1HTR2CSLC6A4KDM4E | |
| SCHEMBL9834971 | 0.88 | ALDH1A1 (0.36) | ALDH1A1ADRA1DADRA1AADRA1BTBXAS1 | |
| SCHEMBL9834568 | 0.87 | HSP90AA1 (0.38) | HRH1HTR2CADRA1DADRA1AADRA1B | |
| SCHEMBL9835639 | 0.84 | ALDH1A1 (0.42) | ALDH1A1GAACYP2D6 | |
| SCHEMBL9835161 | 0.79 | HRH3 (0.38) | KCNH2ADRA2ADRD2ADRA2BADRA2C | |
| SCHEMBL9835877 | 0.78 | GRIN1 (0.42) | ALDH1A1LMNACYP2D6 | |
| SCHEMBL11010577 | 0.78 | POLB (0.38) | HTR2CTBXAS1HTR2BHTR1ASLC6A2 | |
| SCHEMBL9836609 | 0.77 | MEN1 (0.41) | KDM4EHPGDMEN1LMNACYP1A2 | |
| SCHEMBL11014211 | 0.77 | KDM4E (0.38) | KDM4ETBXAS1MEN1LMNAKMT2A | |
| SCHEMBL11012750 | 0.74 | KIT (0.36) | HTR2CALDH1A1KDM4EGAAHPGD |
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 |