Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.58 |
| ▸ | TMEM97 | Q5BJF2 | 15/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 15/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.47 |
| ▸ | HRH2 | P25021 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | HRH1 | P35367 | 3/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29972661 | 0.90 | ABHD6 (0.55) | DHFRTMEM97SIGMAR1ADRA2AADRA2B | |
| SCHEMBL26607719 | 0.90 | ABHD6 (0.55) | DHFRTMEM97SIGMAR1ADRA2AADRA2B | |
| SCHEMBL16935085 | 0.87 | DHFR (0.64) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL21841717 | 0.87 | DHFR (0.58) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL25372702 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1ADRA2AADRA2B | |
| SCHEMBL20840972 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL21118942 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL16935069 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL15309449 | 0.83 | ABHD6 (0.49) | — | |
| SCHEMBL18530311 | 0.81 | TMEM97 (0.67) | DHFRTMEM97SIGMAR1ADRA2AADRA2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3097101-B1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MERCK SHARP & DOHME (US) | 2020-12-23 | — | — | EP | disclosed |
| US-20180009796-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MERCK SHARP & DOHME LLC | 2018-01-11 | — | — | US | disclosed |
| EP-3097101-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| WO-2015112465-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | disclosed |
| WO-2015112465-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | 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 (1 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-20180009796-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MGAT2, MGAT1, ACAT2 | DHFR 1975/4885TMEM97 470/4885SIGMAR1 2042/4885 |
“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.