Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL147825 | 0.89 | CYP3A4 (0.45) | MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL151344 | 0.87 | CYP3A4 (0.51) | MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3541010 | 0.77 | CYP3A4 (0.64) | MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5090978 | 0.77 | CYP3A4 (0.64) | MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4411747 | 0.77 | MTNR1B (0.66) | MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4340905 | 0.76 | CYP3A4 (0.58) | MTNR1BCYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL4346397 | 0.76 | CYP3A4 (0.60) | MTNR1BCYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL5094541 | 0.75 | CYP3A4 (0.59) | MTNR1BCYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL4348524 | 0.75 | CYP3A4 (0.56) | MTNR1BGRIN2CCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4345347 | 0.74 | CYP2D6 (0.58) | MTNR1BCYP3A4CYP2D6CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120059032-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2012-03-08 | — | — | 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 (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-20120059032-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE | BAD, BAK1, CASP3 | MTNR1B 583/4885GRIN2C 259/4885CYP3A4 4526/4885 |
“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.