Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16209916 | 0.75 | APP (0.47) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL16209400 | 0.75 | SRD5A1 (0.46) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL14965950 | 0.75 | SRD5A1 (0.46) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL16209917 | 0.71 | NPC1 (0.44) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL16209919 | 0.71 | NPC1 (0.44) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL7376756 | 0.69 | AKR1B1 (0.43) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL19450185 | 0.68 | CTSV (0.56) | PDE4APDE4BPDE4CPDE4DSRD5A1 | |
| SCHEMBL15476001 | 0.68 | RXRA (0.61) | SRD5A1SRD5A2SMPD1HDAC1HDAC8 | |
| SCHEMBL7383785 | 0.67 | TOP1 (0.39) | — | |
| SCHEMBL4462343 | 0.67 | TSHR (0.63) | SMN1; SMN2MEN1KMT2A |
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 |