Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.60 |
| ▸ | MEN1 | O00255 | 7/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 7/20 | 0.57 |
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 10/20 | 0.56 |
| ▸ | RAB9A | P51151 | 10/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.54 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
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) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL6293935 | 0.85 | ACHE (0.61) | NPC1RAB9AROCK2 | |
| SCHEMBL8148012 | 0.85 | KDM4E (0.56) | MAPTKMT2AMEN1GAANPC1 | |
| SCHEMBL8126912 | 0.85 | RAB9A (0.68) | MAPTKMT2AMEN1GAAHTT | |
| SCHEMBL8120020 | 0.85 | DDX3X (0.57) | MAPTKMT2AMEN1ALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL8128910 | 0.85 | NPC1 (0.53) | MAPTKMT2AMEN1ALDH1A1NPC1 | |
| SCHEMBL8133044 | 0.85 | NPC1 (0.70) | MAPTKMT2AMEN1USP2HTT | |
| SCHEMBL8127237 | 0.84 | SLC2A1 (0.57) | MAPTKMT2AMEN1LMNAHTT | |
| SCHEMBL8137082 | 0.83 | KMT2A (0.55) | MAPTKMT2AMEN1USP2GAA | |
| SCHEMBL8124101 | 0.83 | NPC1 (0.57) | MAPTKMT2AMEN1LMNANPC1 |
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 |