Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | HTR1D | P28221 | 3/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9835668 | 0.98 | MAOA (0.40) | MAOAMAOBHTR1AHTR1DNISCH | |
| SCHEMBL9837246 | 0.81 | MAOA (0.41) | MAOAMAOBHTR1AHTR1DNISCH | |
| SCHEMBL9837005 | 0.81 | MAOA (0.41) | MAOAMAOBHTR1AHTR1DNISCH | |
| SCHEMBL10706601 | 0.77 | MAOA (0.38) | MAOAMAOBHTR1AHTR1DNISCH | |
| SCHEMBL9836246 | 0.72 | MTNR1A (0.40) | HTR1AHTR1DALDH1A1FNTAFNTB | |
| SCHEMBL1917308 | 0.67 | MAOB (0.48) | MAOAMAOBHTR1ANISCHALDH1A1 | |
| SCHEMBL1648508 | 0.67 | MAOA (0.59) | MAOAMAOB | |
| SCHEMBL31151882 | 0.67 | MAOA (0.59) | MAOAMAOB | |
| SCHEMBL4969358 | 0.66 | FNTA (0.41) | ALDH1A1FNTAFNTBADRA2ATSHR | |
| SCHEMBL4061299 | 0.64 | P2RX7 (0.31) | — |
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 3 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 | disclosed |
| US-4547496-A | Antiulcer [1] benzepino[3,4-b]pyridine and compositions | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-10-15 | — | — | US | disclosed |
| EP-0129879-A2 | A [1] benzepino(3,4-b)pyridine derivative | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-01-02 | — | — | EP | disclosed |