Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.52 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3122141 | 0.84 | KDM4E (0.46) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL3121447 | 0.76 | GAA (0.40) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL11321848 | 0.75 | NPC1 (0.62) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL1514997 | 0.71 | NPC1 (1.00) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL29365072 | 0.71 | NPC1 (1.00) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL38652 | 0.71 | NPC1 (1.00) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL12442881 | 0.71 | TSPO (0.43) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL11789746 | 0.71 | TSHR (0.62) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL21814906 | 0.71 | NPC1 (0.60) | NPC1RAB9ATSHRHPGDCYP3A4 | |
| SCHEMBL5477586 | 0.71 | NPC1 (0.70) | NPC1RAB9ATSHRHPGDCYP3A4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763614-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763614-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763614-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-07-27 | — | — | US | disclosed |
| US-7691879-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-04-06 | — | — | US | disclosed |
| EP-1667981-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1667979-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20070054892-A1 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2007-03-08 | — | — | US | disclosed |
| US-20070054892-A1 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2007-03-08 | — | — | US | disclosed |
| US-20070054892-A1 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2007-03-08 | — | — | US | disclosed |
| US-20060276450-A1 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. | 2006-12-07 | — | — | US | disclosed |
| EP-1667981-A1 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| EP-1667979-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030729-A1 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | 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 (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-20060276450-A1 | Isoquinoline potassium channel inhibitors | KCNQ1, KCNQ2, KCNJ2 | NPC1 484/4885RAB9A 2350/4885TSHR 3655/4885 |
| US-20070054892-A1 | Isoquinoline potassium channel inhibitors | KCNQ1, KCNQ2, KCNQ5 | NPC1 490/4885RAB9A 2234/4885TSHR 3632/4885 |
“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.