Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.54 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.50 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8130701 | 0.87 | NPC1 (0.65) | NPC1RAB9AROCK2MEN1KMT2A | |
| SCHEMBL8128776 | 0.85 | MAPT (0.60) | GAAPRMT5WDR77NPC1RAB9A | |
| SCHEMBL8126912 | 0.85 | RAB9A (0.68) | GAAPRMT5WDR77NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8128910 | 0.85 | NPC1 (0.53) | NPC1RAB9AROCK2MEN1KMT2A | |
| SCHEMBL8133044 | 0.85 | NPC1 (0.70) | KDM4EPRMT5WDR77NPC1RAB9A | |
| SCHEMBL8120020 | 0.85 | DDX3X (0.57) | NPC1RAB9AROCK2MEN1KMT2A | |
| SCHEMBL8130811 | 0.83 | KDM4E (0.52) | KDM4EGAAPRMT5WDR77MEN1 | |
| SCHEMBL8155988 | 0.83 | RAF1 (0.49) | NPC1RAB9AROCK2MEN1KMT2A | |
| SCHEMBL8132666 | 0.83 | NPC1 (0.72) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL8131782 | 0.83 | MAPT (0.59) | KDM4ENPC1RAB9AROCK2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1005459-A1 | SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999014197-A1 | SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-03-25 | — | — | WO | disclosed |