Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6779167 | 0.81 | SIGMAR1 (0.46) | SIGMAR1ALDH1A1CHRM3CHRM5 | |
| SCHEMBL6775893 | 0.77 | OPRM1 (0.49) | SIGMAR1HRH3OPRM1 | |
| SCHEMBL6781973 | 0.76 | SIGMAR1 (0.46) | SIGMAR1HRH3OPRM1 | |
| SCHEMBL6784683 | 0.76 | OPRM1 (0.41) | SIGMAR1HRH3OPRM1ALDH1A1ACE | |
| SCHEMBL6775421 | 0.71 | OPRM1 (0.40) | SIGMAR1HRH3OPRM1ALDH1A1ALKBH5 | |
| SCHEMBL10008035 | 0.70 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL6949097 | 0.69 | SIGMAR1 (0.49) | SIGMAR1HRH3ALDH1A1ALKBH5CHRM2 | |
| Hydrochloric Acid SCHEMBL5965726 | 0.68 | ALDH1A1 (0.60) | ALDH1A1CHRM2MEN1KMT2ACHRM4 | |
| SCHEMBL11776863 | 0.68 | ALDH1A1 (0.47) | HRH3ALDH1A1CHRM2MEN1KMT2A | |
| SCHEMBL21308106 | 0.67 | SIGMAR1 (0.44) | SIGMAR1HRH3ALDH1A1ALKBH5CHRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6818643-B1 | 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-16 | — | — | US | disclosed |