Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11575097 | 0.99 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1HSP90AA1MAPK1GAA | |
| SCHEMBL11577949 | 0.88 | CA2 (0.47) | SMN1; SMN2ALDH1A1HSP90AA1MAPK1HTT | |
| Hydrochloric Acid SCHEMBL11576901 | 0.86 | PDE10A (0.47) | SMN1; SMN2ALDH1A1HSP90AA1MAPK1HTT | |
| SCHEMBL11577496 | 0.85 | CA2 (0.50) | SMN1; SMN2ALDH1A1HSP90AA1MAPK1HTT | |
| Hydrochloric Acid SCHEMBL11577675 | 0.84 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1HSP90AA1MAPK1HTT | |
| SCHEMBL11576280 | 0.83 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1MAPK1GAAHTT | |
| SCHEMBL11577001 | 0.83 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1MAPK1HTTNPSR1 | |
| Hydrochloric Acid SCHEMBL11578572 | 0.82 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1MAPK1GAAHTT | |
| Hydrochloric Acid SCHEMBL11580337 | 0.82 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1MAPK1HTTNPSR1 | |
| SCHEMBL11580232 | 0.82 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1HSP90AA1MAPK1GAA |
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-4015006-A | 3(2H)-Isoquinolones therapeutic process | MEAD JOHNSON & COMPANY (US) | 1977-03-29 | — | — | US | claimed |
| US-4075344-A | 3-ALKOXYISOQUINOLINES FOR HYPOTENSIVE AND VASODILATING EFFECTS | MEAD JOHNSON & COMPANY (US) | 1978-02-21 | — | — | US | disclosed |