Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | NNMT | P40261 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16935143 | 1.00 | MLYCD (0.43) | MLYCDKDM4EL3MBTL1MAPK1NPC1 | |
| SCHEMBL16935059 | 0.86 | MLYCD (0.42) | MLYCDKDM4EL3MBTL1MAPK1NPC1 | |
| SCHEMBL1436840 | 0.79 | HDAC1 (0.50) | MLYCDKDM4EL3MBTL1MAPK1PIK3CA | |
| SCHEMBL846330 | 0.79 | MAPK1 (0.59) | KDM4EL3MBTL1MAPK1NPC1RAB9A | |
| SCHEMBL2253612 | 0.79 | MLYCD (0.46) | MLYCDKDM4EL3MBTL1MAPK1PIK3CA | |
| SCHEMBL846331 | 0.79 | MAPK1 (0.59) | KDM4EL3MBTL1MAPK1NPC1RAB9A | |
| SCHEMBL15057209 | 0.78 | NNMT (0.53) | MLYCDKDM4EMAPK1PIK3CAMTOR | |
| SCHEMBL158186 | 0.78 | NAPRT (0.53) | MLYCDL3MBTL1NPC1RAB9AKMT2A | |
| SCHEMBL5775763 | 0.78 | MLYCD (0.45) | MLYCDKDM4EL3MBTL1MAPK1PIK3CA | |
| SCHEMBL2571770 | 0.78 | MLYCD (0.49) | MLYCDKDM4EL3MBTL1MAPK1PIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 | MLYCD 201/4885KDM4E 3767/4885L3MBTL1 1415/4885 |
“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.