Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 7/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8116428 | 0.89 | LMNA (0.53) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8131703 | 0.85 | RAB9A (0.66) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8128776 | 0.84 | MAPT (0.60) | MEN1KMT2AHTTNPC1RAB9A | |
| SCHEMBL8132295 | 0.83 | MAPT (0.54) | SLC2A1MEN1KMT2AHTTNPC1 | |
| SCHEMBL6293985 | 0.82 | NPC1 (0.50) | HTTNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL8161154 | 0.82 | NPC1 (0.70) | MEN1KMT2AHTTNPC1RAB9A | |
| SCHEMBL8126912 | 0.81 | RAB9A (0.68) | MEN1KMT2AHTTNPC1RAB9A | |
| SCHEMBL8130701 | 0.81 | NPC1 (0.65) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8124101 | 0.80 | NPC1 (0.57) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL8135393 | 0.79 | EPHX2 (0.59) | NPC1RAB9A |
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 |