Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCND2 | P30279 | 1/20 | 0.45 |
| ▸ | CCND3 | P30281 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PDE1A | P54750 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 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 SCHEMBL11576904 | 0.99 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| SCHEMBL11577008 | 0.86 | KDM4E (0.50) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| Hydrochloric Acid SCHEMBL11580341 | 0.85 | KDM4E (0.49) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| SCHEMBL11580232 | 0.85 | SMN1; SMN2 (0.55) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| SCHEMBL11576284 | 0.85 | PDE4A (0.55) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL11578577 | 0.84 | PDE4A (0.54) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL11575103 | 0.84 | SMN1; SMN2 (0.54) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| SCHEMBL11577500 | 0.83 | KDM4E (0.48) | ALDH1A1KDM4EMAPTHSD17B10PDE4A | |
| SCHEMBL11578423 | 0.82 | KDM4E (0.50) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| Hydrochloric Acid SCHEMBL11577680 | 0.82 | KDM4E (0.47) | ALDH1A1KDM4EMAPTHSD17B10PDE4A |
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 |