Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL9633866 | 0.76 | HCAR3 (0.35) | HCAR3HCAR2CHRM1KIF11SLC6A2 | |
| SCHEMBL9633412 | 0.73 | CHRM1 (0.35) | HCAR3HCAR2CHRM1SLC6A2SLC6A4 | |
| SCHEMBL9631879 | 0.71 | — | — | |
| SCHEMBL8630769 | 0.67 | HCAR3 (0.38) | HCAR3HCAR2CHRM1KIF11LPL | |
| SCHEMBL20217389 | 0.67 | KCNA3 (0.35) | HCAR3HCAR2CHRM1KIF11SLC6A2 | |
| SCHEMBL9741477 | 0.62 | CHRM1 (0.37) | HCAR3HCAR2CHRM1KIF11SLC6A2 | |
| SCHEMBL25237655 | 0.61 | LPL (0.41) | HCAR3HCAR2CHRM1LPLLIPG | |
| SCHEMBL9731735 | 0.60 | CA1 (0.50) | SLC6A4L3MBTL1 | |
| SCHEMBL9730750 | 0.60 | ALDH1A1 (0.50) | CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9633103 | 0.60 | OPRM1 (0.38) | HCAR2KIF11SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |