Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL29371152 | 1.00 | TNF (0.47) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL18062509 | 1.00 | TNF (0.47) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL5486541 | 1.00 | TNF (0.47) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL1404120 | 1.00 | TNF (0.47) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL18062508 | 1.00 | TNF (0.47) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL1450084 | 0.97 | TNF (0.45) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Naphthalene SCHEMBL7327012 | 0.97 | TNF (0.48) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL1536317 | 0.97 | TNF (0.48) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL31588723 | 0.97 | TNF (0.48) | TNFKDM4ECYP3A4LMNACYP1A2 | |
| Isoquinoline SCHEMBL9654 | 0.97 | TNF (0.48) | TNFKDM4ECYP3A4LMNACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1057814-A1 | TETRAHYDROBENZINDOLE DERIVATIVES | Meiji Seika Kaisha, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |