Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isoquinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 3/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 6/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | UBE2N | P61088 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL4339108 | 0.95 | IMPDH2 (0.46) | IMPDH2SLC22A12L3MBTL1CYP3A4UBE2N | |
| Isoquinoline SCHEMBL4339110 | 0.95 | IMPDH2 (0.46) | IMPDH2SLC22A12L3MBTL1CYP3A4UBE2N | |
| Isoquinoline SCHEMBL27990251 | 0.95 | IMPDH2 (0.46) | IMPDH2SLC22A12L3MBTL1CYP3A4UBE2N | |
| Isoquinoline SCHEMBL5527333 | 0.90 | IMPDH2 (0.43) | IMPDH2SLC22A12L3MBTL1CYP3A4UBE2N | |
| Isoquinoline SCHEMBL523706 | 0.89 | IMPDH2 (0.50) | IMPDH2SLC22A12CYP3A4CCNCCDK8 | |
| Isoquinoline SCHEMBL8545344 | 0.89 | CCNC (0.42) | IMPDH2SLC22A12L3MBTL1CYP3A4UBE2N | |
| Trifluoroacetic Acid SCHEMBL30343227 | 0.86 | L3MBTL1 (0.42) | IMPDH2SLC22A12L3MBTL1CYP3A4UBE2N | |
| Isoquinoline SCHEMBL28990412 | 0.84 | IMPDH2 (0.47) | IMPDH2SLC22A12CYP3A4CCNCCDK8 | |
| Isoquinoline SCHEMBL11346369 | 0.82 | IMPDH2 (0.53) | IMPDH2CYP3A4CCNCCDK8ROCK2 | |
| Isoquinoline SCHEMBL5656668 | 0.80 | KDM4E (0.47) | IMPDH2CYP3A4CCNCCDK8ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0804431-A4 | GLYCOPROTEIN IIb/IIIa ANTAGONISTS | LILLY CO ELI (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0804431-A1 | GLYCOPROTEIN IIb/IIIa ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1997-11-05 | — | — | EP | disclosed |