Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3480570 | 0.94 | NPC1 (0.55) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL7822107 | 0.88 | CYP2C8 (0.64) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL3091927 | 0.88 | NPC1 (0.53) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL699230 | 0.85 | ALDH1A1 (0.71) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL1868314 | 0.84 | NPC1 (0.56) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL4842051 | 0.82 | CYP2C8 (0.64) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL7170742 | 0.82 | NPC1 (0.50) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL9520003 | 0.81 | RAB9A (0.74) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL4326892 | 0.80 | NPC1 (0.54) | NPC1RAB9AALDH1A1LMNAHTT | |
| SCHEMBL2784166 | 0.79 | ALDH1A1 (0.70) | NPC1RAB9AALDH1A1LMNAHPGD |
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-7781457-B2 | Isoquinolinone potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | US | disclosed |
| US-7781457-B2 | Isoquinolinone potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-08-24 | — | — | 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-7763614-B2 | Isoquinoline potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-07-27 | — | — | US | disclosed |
| EP-1667981-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2008-08-13 | — | — | 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 |
| CN-1856477-A | Isoquinoline potassium channel inhibitors | MERCK & CO INC (US) | 2006-11-01 | — | — | CN | disclosed |
| EP-1667981-A1 | 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 |
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-20070054892-A1 | Isoquinoline potassium channel inhibitors | KCNQ1, KCNQ2, KCNQ5 | NPC1 490/4885RAB9A 2234/4885ALDH1A1 1553/4885 |
“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.