Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 9/20 | 0.39 |
| ▸ | MAOA | P21397 | 9/20 | 0.39 |
| ▸ | MAOB | P27338 | 9/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9846350 | 0.76 | SLC6A2 (0.38) | OPRM1OPRL1 | |
| SCHEMBL1274251 | 0.68 | KDM1A (0.54) | KDM1AMAOAMAOB | |
| SCHEMBL9632990 | 0.67 | KDM1A (0.40) | KDM1AMAOAMAOBOPRM1OPRL1 | |
| SCHEMBL9632881 | 0.66 | SLC6A3 (0.37) | OPRM1OPRL1 | |
| SCHEMBL9631898 | 0.66 | SLC6A3 (0.37) | OPRM1OPRL1 | |
| SCHEMBL9631894 | 0.66 | SLC6A3 (0.37) | OPRM1OPRL1 | |
| SCHEMBL6596630 | 0.65 | SLC6A9 (0.41) | SLC6A9OPRM1OPRL1 | |
| SCHEMBL17523294 | 0.65 | HCAR2 (0.40) | KDM1AMAOAMAOBSLC6A9OPRM1 | |
| SCHEMBL17523296 | 0.65 | HCAR2 (0.40) | KDM1AMAOAMAOBSLC6A9OPRM1 | |
| SCHEMBL9632050 | 0.65 | — | — |
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 |