Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9632881 | 0.75 | SLC6A3 (0.37) | SLC6A3OPRM1OPRL1HCAR2CHRM2 | |
| SCHEMBL9631894 | 0.75 | SLC6A3 (0.37) | SLC6A3OPRM1OPRL1HCAR2CHRM2 | |
| SCHEMBL9631898 | 0.75 | SLC6A3 (0.37) | SLC6A3OPRM1OPRL1HCAR2CHRM2 | |
| SCHEMBL9632246 | 0.73 | HTT (0.38) | HCAR2KMT2AALDH1A1MAPT | |
| SCHEMBL9633103 | 0.72 | OPRM1 (0.38) | SLC6A3OPRM1OPRL1HCAR2SLC6A2 | |
| SCHEMBL9633419 | 0.69 | OPRM1 (0.40) | SLC6A3OPRM1OPRL1HCAR2CHRM2 | |
| SCHEMBL9631477 | 0.66 | — | — | |
| SCHEMBL9632050 | 0.66 | — | — | |
| SCHEMBL11315800 | 0.66 | — | — | |
| SCHEMBL9846350 | 0.65 | SLC6A2 (0.38) | SLC6A3OPRM1OPRL1CHRM2CHRM4 |
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 |