Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP4 | P49662 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP9 | P55211 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408049 | 0.81 | HTT (0.41) | HIF1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL8015301 | 0.77 | HTR1A (0.52) | HIF1APNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL7509854 | 0.75 | HTR1A (0.51) | HIF1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL20704215 | 0.75 | MAPT (0.45) | HIF1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL5477312 | 0.74 | LMNA (0.48) | ALDH1A1SMN1; SMN2CASP1CASP3CASP4 | |
| SCHEMBL27342629 | 0.73 | ALDH1A1 (0.41) | HIF1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL20704108 | 0.73 | PNMT (0.47) | HIF1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL6938882 | 0.73 | CYP3A4 (0.44) | HIF1APNMTADRA2AADRA2BADRA2C | |
| SCHEMBL9156355 | 0.73 | HIF1A (0.46) | HIF1APNMTALDH1A1SMN1; SMN2CHRNB4 | |
| SCHEMBL5768587 | 0.72 | LMNA (0.43) | HIF1APNMTADRA2AADRA2BADRA2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |