Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 12/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR1F | P30939 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL29588161 | 0.87 | HTR6 (0.61) | HTR6PKMHTR1AHTR1DHTR1B | |
| SCHEMBL16111028 | 0.80 | HTR6 (0.66) | HTR6PKMSMN1; SMN2HDAC6CA2 | |
| SCHEMBL8800158 | 0.80 | HTR6 (0.66) | HTR6PKMHTR2ATAAR1HDAC6 | |
| SCHEMBL10467679 | 0.80 | HTR6 (0.66) | HTR6PKMHDAC6CA1CA2 | |
| SCHEMBL13202902 | 0.78 | HTR6 (0.63) | HTR6PKMHDAC6 | |
| SCHEMBL4507430 | 0.78 | HTR6 (0.59) | HTR6PKMSMN1; SMN2HDAC6 | |
| SCHEMBL18063443 | 0.78 | HTR6 (0.63) | HTR6PKMHDAC6TUBB4ATUBB | |
| SCHEMBL5036587 | 0.77 | HTR6 (0.58) | HTR6PKMHDAC6PARLTUBB4A | |
| SCHEMBL7128590 | 0.76 | HTR6 (0.57) | HTR6PKMHDAC6CA1CA2 | |
| SCHEMBL13891892 | 0.76 | HTR6 (0.50) | HTR6PKMCYP2A6TAAR1CA12 |
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-0488663-B1 | Pyrrolo[2,3-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them | LILLY INDUSTRIES LTD (GB) | 1997-10-08 | — | — | EP | disclosed |
| US-5258378-A | Pyrroloazepine compounds useful as dopaminergic agents | LILLY INDUSTRIES LIMITED (GB) | 1993-11-02 | — | — | US | disclosed |
| EP-0488663-A1 | Pyrrolo[2,3-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them | LILLY INDUSTRIES LIMITED (GB) | 1992-06-03 | — | — | EP | disclosed |