Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | HRH2 | P25021 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3442137 | 1.00 | ALDH1A1 (0.52) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL3442633 | 1.00 | ALDH1A1 (0.52) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL31719083 | 0.89 | HRH3 (0.49) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL3442695 | 0.89 | POLB (0.53) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL31719228 | 0.89 | HRH3 (0.49) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL3442692 | 0.89 | POLB (0.53) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL3442338 | 0.89 | HRH3 (0.49) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL3442988 | 0.88 | ALDH1A1 (0.62) | ALDH1A1PKMPOLBHRH3HRH2 | |
| SCHEMBL23127106 | 0.83 | — | — | |
| SCHEMBL28960037 | 0.80 | PDCD1 (0.44) | ALDH1A1HRH3HRH2HRH1PDCD1 |
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-7812178-B2 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-10-12 | — | — | US | disclosed |
| US-20100144720-A1 | INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-06-10 | — | — | US | disclosed |
| US-7649011-B2 | Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction | CHEMOCENTRYX, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| EP-1606251-B1 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | CHEMOCENTRYX INC (US) | 2009-04-08 | — | — | EP | disclosed |
| US-20090076276-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-19 | — | — | US | disclosed |
| US-7459465-B2 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-12-02 | — | — | US | disclosed |
| CN-100390164-C | Isoquinoline compound and medical application thereof | MITSUBISHI PHARMA CORP (JP) | 2008-05-28 | — | — | CN | disclosed |
| US-20070161620-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI PHARMA CORPORATION (JP) | 2007-07-12 | — | — | US | disclosed |
| US-7220759-B2 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI PHARMA CORPORATION (JP) | 2007-05-22 | — | — | US | disclosed |
| CN-1703410-A | Isoquinoline compounds and medicinal use thereof | MITSUBISHI PHARMA CORP (JP) | 2005-11-30 | — | — | CN | disclosed |
| EP-1557414-A1 | ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF | Mitsubishi Pharma Corporation (JP) | 2005-07-27 | — | — | EP | disclosed |
| US-20040248931-A1 | Isoquinoline compound and pharmaceutical use thereof | MITSUBISHI PHARMA CORPORATION (JP) | 2004-12-09 | — | — | 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 (4 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-20040248931-A1 | Isoquinoline compound and pharmaceutical use thereof | NQO1, PARP1, PARP11 | ALDH1A1 82/4885PKM 3713/4885POLB 97/4885 |
| US-20090076276-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | NQO1, PARP1, NUDT1 | ALDH1A1 108/4885PKM 3585/4885POLB 96/4885 |
| US-20100144720-A1 | INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 | CCL2, CCR2, CXCR2 | ALDH1A1 910/4885PKM 4318/4885POLB 4145/4885 |
| US-20070161620-A1 | ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF | NQO1, PARP1, NUDT1 | ALDH1A1 108/4885PKM 3585/4885POLB 96/4885 |
“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.