Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL13960159 | 0.84 | SIGMAR1 (0.40) | SIGMAR1PDK2 | |
| SCHEMBL3993555 | 0.83 | SIGMAR1 (0.39) | SIGMAR1KMT2APDK2 | |
| SCHEMBL3925433 | 0.79 | SIGMAR1 (0.36) | SIGMAR1KMT2A | |
| SCHEMBL3996992 | 0.78 | TMEM97 (0.35) | SIGMAR1PDK2 | |
| SCHEMBL6946652 | 0.76 | SIGMAR1 (0.55) | SIGMAR1KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL4009975 | 0.76 | HTR2A (0.35) | KMT2ADRD2PNMT | |
| SCHEMBL15093559 | 0.76 | HTR2A (0.35) | KMT2ADRD2PNMT | |
| SCHEMBL15093376 | 0.76 | HTR2A (0.35) | KMT2ADRD2PNMT | |
| Hydrochloric Acid SCHEMBL5900851 | 0.72 | SIGMAR1 (0.68) | SIGMAR1KMT2ACHRM2CHRM4CHRM5 | |
| SCHEMBL30368868 | 0.68 | SIGMAR1 (1.00) | SIGMAR1KMT2ACHRM2CHRM4CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009005459-A1 | PHENYL-1,2, 3,4-TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A PAIN DISORDER | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |