Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9631898 | 0.74 | SLC6A3 (0.37) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9632881 | 0.74 | SLC6A3 (0.37) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9631894 | 0.74 | SLC6A3 (0.37) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9632050 | 0.73 | — | — | |
| SCHEMBL28347452 | 0.72 | SLC6A2 (0.55) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9846350 | 0.68 | SLC6A2 (0.38) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL8693213 | 0.67 | SLC6A2 (0.49) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9632243 | 0.65 | CHRM1 (0.39) | SLC6A2CHRM1 | |
| SCHEMBL30207563 | 0.65 | CHRM3 (0.49) | SLC6A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL30207535 | 0.65 | CHRM3 (0.49) | SLC6A2CHRM2CHRM4CHRM5CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5126461-A | Silica in organic solution | SHELL RESEARCH LIMITED (GB) | 1992-06-30 | — | — | US | disclosed |
| 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 |
| EP-0432818-A2 | Process for opening cyclopropane rings | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |