Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 4/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL15179604 | 0.84 | EPHX2 (0.42) | ALDH1A1OPRK1STSNR1H2NR1H3 | |
| SCHEMBL15169526 | 0.84 | KDM4E (0.34) | ALDH1A1OPRK1STSNR1H2NR1H3 | |
| SCHEMBL2729850 | 0.83 | MMP13 (0.34) | OPRK1STSNR1H2NR1H3USP30 | |
| SCHEMBL4550833 | 0.76 | STS (0.38) | ALDH1A1OPRK1STSCTSLCTSB | |
| SCHEMBL15878226 | 0.74 | SMN1; SMN2 (0.37) | ALDH1A1OPRK1NR1H2NR1H3KMT2A | |
| SCHEMBL15169247 | 0.73 | ABL1 (0.35) | ALDH1A1THRBKMT2AMEN1NPSR1 | |
| SCHEMBL15179603 | 0.73 | ABL1 (0.40) | ALDH1A1KMT2AMAPTMEN1LMNA | |
| SCHEMBL21180886 | 0.72 | ABL1 (0.48) | ALDH1A1KMT2AMAPTMEN1LMNA | |
| SCHEMBL27158644 | 0.71 | SMN1; SMN2 (0.38) | ALDH1A1OPRK1STSNR1H2NR1H3 | |
| SCHEMBL4550776 | 0.71 | NR1H2 (0.40) | ALDH1A1OPRK1NR1H2NR1H3USP30 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130210804-A1 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| US-20130210804-A1 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| WO-2012061019-A2 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-10 | — | — | 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-20130210804-A1 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | GRM5, GRM1, GRM2 | ALDH1A1 4309/4885OPRK1 113/4885STS 3754/4885 |
“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.