Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.56 |
| ▸ | PIM1 | P11309 | 2/20 | 0.56 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.46 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.46 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | KDM4B | O94953 | 1/20 | 0.43 |
| ▸ | KDM5C | P41229 | 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 | |
|---|---|---|---|---|
| SCHEMBL4066634 | 0.81 | PARP1 (0.58) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL24617507 | 0.78 | PARP1 (0.58) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL30205640 | 0.77 | PARP1 (0.57) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL23675135 | 0.77 | NAMPT (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A | |
| SCHEMBL2315757 | 0.77 | PARP1 (0.57) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL29136065 | 0.77 | PARP1 (0.53) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL4870787 | 0.77 | PARP1 (0.53) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL27947189 | 0.76 | PARP1 (0.55) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL25275583 | 0.75 | PARP1 (0.61) | PARP1CHEK1PIM1RPS6KA3ROCK2 | |
| SCHEMBL496967 | 0.75 | IP6K1 (0.65) | PARP1CHEK1PIM1ALDH1A1IP6K1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
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-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 | PARP1 2298/4885CHEK1 2195/4885PIM1 655/4885 |
“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.