Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13247994 | 1.00 | OPRM1 (0.40) | OPRM1OPRK1OPRL1OPRD1ACE | |
| SCHEMBL4737682 | 0.82 | DRD2 (0.40) | OPRM1OPRK1ACEL3MBTL1HTR2C | |
| SCHEMBL2705982 | 0.82 | DRD2 (0.40) | OPRM1OPRK1ACEL3MBTL1HTR2C | |
| SCHEMBL24176565 | 0.81 | ESR1 (0.44) | OPRM1OPRK1OPRL1OPRD1ACE | |
| SCHEMBL14471176 | 0.81 | MTNR1A (0.43) | OPRM1OPRK1OPRL1OPRD1ACE | |
| SCHEMBL24176557 | 0.81 | ESR1 (0.44) | OPRM1OPRK1OPRL1OPRD1ACE | |
| SCHEMBL10061190 | 0.81 | ESR1 (0.44) | OPRM1OPRK1OPRL1OPRD1ACE | |
| SCHEMBL6180482 | 0.76 | ACE (0.41) | OPRM1ACEL3MBTL1SRD5A1TSHR | |
| SCHEMBL6177358 | 0.74 | CYP2D6 (0.35) | ACEL3MBTL1CHRM2CHRM1SLC6A2 | |
| SCHEMBL13210096 | 0.74 | NOTUM (0.53) | ACEL3MBTL1TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9695128-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9695128-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-20170008854-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-01-12 | — | — | US | disclosed |
| US-8168798-B2 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-01 | — | — | US | disclosed |
| US-8168798-B2 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | US | disclosed |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | US | disclosed |
| US-7879891-B2 | such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| US-20070155718-A1 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED | 2007-07-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070155718-A1 | Caspase inhibitor prodrugs | CASP1, CASP5, CASP2 | OPRM1 4059/4885OPRK1 3954/4885OPRL1 3553/4885 |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | CASP1, CASP5, CASP2 | OPRM1 4059/4885OPRK1 3954/4885OPRL1 3553/4885 |
| US-20170008854-A1 | ETHYNYL DERIVATIVES | SNCA, NLN, ATXN2 | OPRM1 595/4885OPRK1 159/4885OPRL1 173/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.