Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 7/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.57 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.56 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14307356 | 0.93 | CYP3A4 (0.66) | MTNR1BCYP3A4CYP2D6CYP2C19MTNR1A | |
| SCHEMBL5097117 | 0.90 | MTNR1B (0.68) | MTNR1BCYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL5097155 | 0.89 | TP53 (0.66) | MTNR1BCYP3A4CYP2D6CYP2C19HCRTR1 | |
| SCHEMBL5096743 | 0.89 | CYP3A4 (0.67) | MTNR1BCYP3A4CYP2D6CYP2C19PDE4D | |
| SCHEMBL5103450 | 0.88 | CYP3A4 (0.60) | MTNR1BCYP3A4CYP2D6CYP2C19MTNR1A | |
| SCHEMBL5103362 | 0.88 | CYP3A4 (0.68) | MTNR1BCYP3A4CYP2D6CYP2C19MTNR1A | |
| SCHEMBL13064945 | 0.88 | LMNA (0.68) | MTNR1BCYP3A4CYP2D6CYP2C19PDE4D | |
| SCHEMBL31538834 | 0.88 | LMNA (0.68) | MTNR1BCYP3A4CYP2D6CYP2C19PDE4D | |
| SCHEMBL5090978 | 0.87 | CYP3A4 (0.64) | MTNR1BCYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL3541010 | 0.87 | CYP3A4 (0.64) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | US | disclosed |
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | US | disclosed |
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | 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-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | BAD, TP53, MCL1 | MTNR1B 1805/4885CYP3A4 4114/4885CYP2D6 4453/4885 |
“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.