Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | CNR1 | P21554 | 2/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 5/20 | 0.49 |
| ▸ | NOS1 | P29475 | 5/20 | 0.49 |
| ▸ | NOS2 | P35228 | 5/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1634493 | 1.00 | POLB (0.52) | POLBCNR1CNR2ALDH1A1HTT | |
| SCHEMBL4915065 | 0.86 | CA2 (0.50) | ALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL4915078 | 0.86 | CA2 (0.50) | ALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL22697323 | 0.80 | TAS1R3 (0.60) | POLBCNR1CNR2ALDH1A1HTT | |
| SCHEMBL21274377 | 0.80 | TAS1R3 (0.60) | POLBCNR1CNR2ALDH1A1HTT | |
| SCHEMBL1636233 | 0.78 | MEN1 (0.47) | ALDH1A1HTTTAS1R3TAS1R1MAPT | |
| SCHEMBL1636418 | 0.78 | MEN1 (0.47) | ALDH1A1HTTTAS1R3TAS1R1MAPT | |
| SCHEMBL5211103 | 0.77 | TAS1R3 (0.48) | POLBCNR1CNR2ALDH1A1HTT | |
| SCHEMBL5211099 | 0.77 | TAS1R3 (0.48) | POLBCNR1CNR2ALDH1A1HTT | |
| SCHEMBL1634495 | 0.76 | MEN1 (0.47) | ALDH1A1TAS1R3TAS1R1MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080090862-A1 | Isoquinoline Derivatives as Calpain Inhibitors | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2008-04-17 | — | — | US | claimed |
| EP-1829864-A1 | ISOQUINOLINE DERIVATIVES AS CALPAIN INHIBITORS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2007-09-05 | — | — | EP | claimed |
| US-7932266-B2 | Ester or amide derived from (3-sec-butyl-1-(thio)oxo-2,3-dihydro-1H-isoquinolin-4-yliden)-acetic acid; neurodegenerative diseases, cerebral and cardiac ischemias | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2011-04-26 | — | — | US | disclosed |
| US-7932266-B2 | Ester or amide derived from (3-sec-butyl-1-(thio)oxo-2,3-dihydro-1H-isoquinolin-4-yliden)-acetic acid; neurodegenerative diseases, cerebral and cardiac ischemias | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2011-04-26 | — | — | US | disclosed |
| US-20080090862-A1 | Isoquinoline Derivatives as Calpain Inhibitors | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2008-04-17 | — | — | US | disclosed |
| US-20080090862-A1 | Isoquinoline Derivatives as Calpain Inhibitors | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2008-04-17 | — | — | US | disclosed |
| EP-1829864-A1 | ISOQUINOLINE DERIVATIVES AS CALPAIN INHIBITORS | Consejo Superior de Investigaciones Cientificas (CSIC) (ES) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006064075-A1 | ISOQUINOLINE DERIVATIVES AS CALPAIN INHIBITORS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2006-06-22 | — | — | 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-20080090862-A1 | Isoquinoline Derivatives as Calpain Inhibitors | CAPN1, CAPN2, CAPNS1 | POLB 1787/4885CNR1 3439/4885CNR2 3427/4885 |
“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.