Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1384499 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL1382486 | 0.88 | NR1I2 (0.45) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL1381529 | 0.84 | NR1I2 (0.47) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL1381565 | 0.83 | KCNA5 (0.57) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL1385340 | 0.81 | KCNA5 (0.54) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL1382076 | 0.79 | KCNA5 (0.40) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL3121439 | 0.79 | KDM4E (0.46) | ALDH1A1KDM4EHPGDKMT2ACYP1A2 | |
| SCHEMBL1384933 | 0.79 | CA1 (0.47) | ALDH1A1KDM4EHPGDKMT2ACYP1A2 | |
| SCHEMBL1385668 | 0.78 | KCNA5 (0.54) | ALDH1A1KDM4EHPGDKMT2AGAA | |
| SCHEMBL3109372 | 0.76 | CYP1A2 (0.51) | ALDH1A1KDM4EHPGDKMT2AGAA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4794446-B2 | — | — | 2011-10-19 | — | — | JP | claimed |
| US-7691879-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-04-06 | — | — | US | claimed |
| EP-1667979-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | claimed |
| US-20060276450-A1 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2006-12-07 | — | — | US | claimed |
| EP-1667979-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | claimed |
| WO-2005030130-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | claimed |
| US-7691879-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-04-06 | — | — | US | disclosed |
| US-7691879-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-04-06 | — | — | US | disclosed |
| US-7691879-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-04-06 | — | — | US | disclosed |
| EP-1667979-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20060276450-A1 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2006-12-07 | — | — | US | disclosed |
| EP-1667979-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030130-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | 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-20060276450-A1 | Isoquinoline potassium channel inhibitors | KCNQ1, KCNQ2, KCNJ2 | ALDH1A1 2360/4885KDM4E 811/4885HPGD 2517/4885 |
“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.