Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 3/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.35 |
| ▸ | DDR2 | Q16832 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | STK10 | O94804 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.35 |
| ▸ | EPHA8 | P29322 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7661203 | 0.99 | GAA (0.39) | GAAHTTROCK2LMNAABL1 | |
| SCHEMBL7662414 | 0.90 | ROCK2 (0.37) | GAAHTTROCK2LMNAABL1 | |
| SCHEMBL7659472 | 0.88 | ROCK2 (0.43) | GAAHTTROCK2MEN1KMT2A | |
| SCHEMBL7654982 | 0.77 | SMN1; SMN2 (0.40) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL7659619 | 0.76 | SMN1; SMN2 (0.39) | HTTLMNAMEN1KMT2ARAB9A | |
| SCHEMBL7653690 | 0.76 | MAPT (0.56) | HTTLMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL6295077 | 0.75 | ROCK2 (0.58) | ROCK2 | |
| Hydrochloric Acid SCHEMBL7653757 | 0.75 | MAPT (0.55) | HTTLMNAMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL6299497 | 0.75 | ROCK2 (0.57) | ROCK2 | |
| SCHEMBL7993332 | 0.74 | ROCK2 (0.45) | ROCK2DDR1DDR2MEN1KMT2A |
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-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |