Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | DHODH | Q02127 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GPR6 | P46095 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7008451 | 0.83 | GPR6 (0.43) | NR1H4ALDH1A1DHODHMAPTLMNA | |
| SCHEMBL8185705 | 0.83 | MEN1 (0.47) | NR1H4ALDH1A1DHODHMAPTLMNA | |
| SCHEMBL8370671 | 0.82 | NR1H4 (0.46) | NR1H4ALDH1A1DHODHMAPTLMNA | |
| SCHEMBL7993247 | 0.82 | KDM4E (0.43) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL8184192 | 0.82 | NR1H4 (0.45) | NR1H4ALDH1A1DHODHMAPTLMNA | |
| SCHEMBL8517156 | 0.81 | NR1H4 (0.45) | NR1H4ALDH1A1DHODHMAPTLMNA | |
| Hydrochloric Acid SCHEMBL8187880 | 0.81 | NR1H4 (0.45) | NR1H4ALDH1A1DHODHMAPTLMNA | |
| SCHEMBL7990102 | 0.80 | NR1H4 (0.46) | NR1H4ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL7979061 | 0.80 | PDE4D (0.39) | ALDH1A1LMNASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7991365 | 0.78 | BRPF1 (0.43) | ALDH1A1MAPTLMNASMN1; SMN2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | claimed |
| US-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| CN-1255917-A | Anti-convulsant isoquinolyl-benzamide derivatives | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | CN | disclosed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | disclosed |