Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.65 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.47 |
| ▸ | SELE | P16581 | 1/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7269053 | 0.87 | SIRT1 (0.50) | SIRT1TDP1PTGS1PTGS2KDM4E | |
| SCHEMBL7695938 | 0.80 | SIRT1 (0.74) | SIRT1SIRT3ICAM1SELENCOA1 | |
| SCHEMBL1030659 | 0.79 | SIRT1 (1.00) | SIRT1TDP1ICAM1SELENCOA1 | |
| SCHEMBL6831130 | 0.78 | SIRT3 (0.43) | SIRT1SIRT3TDP1ICAM1SELE | |
| SCHEMBL21056657 | 0.77 | PTGS1 (0.50) | SIRT1TDP1ICAM1SELEPTGS1 | |
| SCHEMBL30997714 | 0.77 | PTGS1 (0.50) | SIRT1TDP1ICAM1SELEPTGS1 | |
| SCHEMBL1327240 | 0.76 | SIRT3 (0.59) | SIRT1SIRT3TDP1CA12CA1 | |
| SCHEMBL16702318 | 0.74 | PTGS1 (0.46) | SIRT1TDP1ICAM1SELECA12 | |
| SCHEMBL25126120 | 0.74 | SLC22A12 (0.52) | SIRT1SIRT3ICAM1SELEPTGS1 | |
| SCHEMBL29269839 | 0.73 | PTGS1 (0.44) | SIRT1TDP1ICAM1SELEPTGS1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160243102-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2016-08-25 | — | — | US | disclosed |
| US-20150297581-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2015-10-22 | — | — | US | disclosed |
| US-20140357652-A1 | RHO KINASE INHIBITORS | ALCON INC. (CH) | 2014-12-04 | — | — | US | disclosed |
| US-8809326-B2 | Isoquinolinone Rho kinase inhibitors | AERIE PHARMACEUTICALS, INC. (US) | 2014-08-19 | — | — | US | disclosed |
| US-20080161297-A1 | e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, | ALCON INC. (CH) | 2008-07-03 | — | — | US | disclosed |
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO., LTD. | 2005-09-08 | — | — | 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 (5 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-20160243102-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | SIRT1 839/4885SIRT3 1425/4885TDP1 866/4885 |
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | HCRTR2, MCHR1, MCHR2 | SIRT1 2155/4885SIRT3 2917/4885TDP1 1049/4885 |
| US-20150297581-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | SIRT1 839/4885SIRT3 1425/4885TDP1 866/4885 |
| US-20140357652-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, CIT | SIRT1 839/4885SIRT3 1425/4885TDP1 866/4885 |
| US-20080161297-A1 | e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, | ROCK1, ROCK2, ARHGDIA | SIRT1 759/4885SIRT3 1303/4885TDP1 1921/4885 |
“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.