Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GPR4 | P46093 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL979256 | 1.00 | CYP3A4 (0.35) | CYP3A4GPR4KCNH2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL2898888 | 0.98 | CYP3A4 (0.34) | CYP3A4GPR4KCNH2ALDH1A1MAPT | |
| SCHEMBL5342102 | 0.89 | SLC6A2 (0.36) | CYP3A4MAPTPOLB | |
| SCHEMBL5397728 | 0.83 | CYP3A4 (0.34) | CYP3A4ALDH1A1MAPTHTR3APOLB | |
| SCHEMBL17691084 | 0.82 | GPR4 (0.34) | GPR4KCNH2 | |
| SCHEMBL19276505 | 0.81 | — | — | |
| SCHEMBL7635234 | 0.81 | GPR4 (0.33) | GPR4KCNH2 | |
| SCHEMBL3765643 | 0.80 | — | — | |
| Water SCHEMBL7155879 | 0.78 | CYP3A4 (0.37) | CYP3A4POLBNPSR1 | |
| SCHEMBL9283864 | 0.78 | GPR4 (0.36) | GPR4KCNH2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367699-B2 | Tetrahydro-isoquinolines | NEXUSPHARMA, INC. (US) | 2013-02-05 | — | — | US | claimed |
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | claimed |
| US-20090306130-A1 | NOVEL TETRAHYDRO-ISOQUINOLINES | NEXUSPHARMA, INC. | 2009-12-10 | — | — | US | claimed |
| US-20090068144-A1 | TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER | NEXUSPHARMA INC. | 2009-03-12 | — | — | US | claimed |
| WO-2008034039-A2 | NOVEL TETRAHYDRO-ISOQUINOLINES | NEXUSPHARMA INC. (US) | 2008-03-20 | — | — | WO | claimed |
| WO-2006097323-A1 | TETRAHYDRO-ISOQUINOLIN-l-ONES FOR THE TREATMENT OF CANCER | WEBER LUTZ (DE) | 2006-09-21 | — | — | WO | claimed |
| US-8367699-B2 | Tetrahydro-isoquinolines | NEXUSPHARMA, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090306130-A1 | NOVEL TETRAHYDRO-ISOQUINOLINES | NEXUSPHARMA, INC. | 2009-12-10 | — | — | US | disclosed |
| US-20090068144-A1 | TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER | NEXUSPHARMA INC. | 2009-03-12 | — | — | US | disclosed |
| WO-2008034039-A2 | NOVEL TETRAHYDRO-ISOQUINOLINES | NEXUSPHARMA INC. (US) | 2008-03-20 | — | — | WO | disclosed |
| WO-2006097323-A1 | TETRAHYDRO-ISOQUINOLIN-l-ONES FOR THE TREATMENT OF CANCER | WEBER LUTZ (DE) | 2006-09-21 | — | — | 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 (2 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-20090306130-A1 | NOVEL TETRAHYDRO-ISOQUINOLINES | ING2, NOTCH2, HMGB2 | CYP3A4 2836/4885GPR4 4041/4885KCNH2 3622/4885 |
| US-20090068144-A1 | TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER | ING2, HMGB2, NOTCH2 | CYP3A4 2933/4885GPR4 3920/4885KCNH2 4149/4885 |
“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.