Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7380788 | 0.89 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL7382926 | 0.88 | BCHE (0.43) | AKR1B1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7385552 | 0.87 | ALDH1A1 (0.53) | AKR1B1PDE4DALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7385028 | 0.85 | AKR1B1 (0.43) | AKR1B1SIRT2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7383655 | 0.83 | BCHE (0.40) | AKR1B1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7387564 | 0.82 | MAPK1 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL7381140 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL7386545 | 0.80 | TOP1 (0.39) | KDM4EMAPT | |
| SCHEMBL7383785 | 0.80 | TOP1 (0.39) | KDM4EMAPT | |
| SCHEMBL7384620 | 0.80 | MAPT (0.39) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 |
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-6486155-B1 | Method of inhibiting neoplastic cells with isoquinoline derivatives | CELL PATHWAYS INC | 2002-11-26 | — | — | US | disclosed |
| WO-1998038168-A1 | ISOQUINOLINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | TANABE SEIYAKU CO., LTD. (JP) | 1998-09-03 | — | — | WO | disclosed |