Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770045 | 0.98 | TP53 (0.47) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4768908 | 0.90 | RAB9A (0.44) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4772229 | 0.89 | RAB9A (0.43) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4768918 | 0.87 | RAB9A (0.46) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4086176 | 0.86 | RAB9A (0.46) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4764269 | 0.86 | TP53 (0.46) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4774080 | 0.86 | RAB9A (0.46) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4775551 | 0.86 | RAB9A (0.45) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4769956 | 0.85 | TP53 (0.46) | TP53KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4769109 | 0.85 | PRMT5 (0.47) | TP53KDM4EALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1020445-B1 | FUSED PYRIDINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-6875761-B2 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. (JP) | 2005-04-05 | — | — | US | disclosed |
| US-6790844-B2 | MUSCLE RELAXANTS; ANTISEROTONINE AGENT | EISAI CO., LTD (JP) | 2004-09-14 | — | — | US | disclosed |
| US-6340759-B1 | ANTISPASMODIC AGENTS | EISAI CO., LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| EP-1020445-A1 | FUSED PYRIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-07-19 | — | — | EP | disclosed |