Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28270077 | 0.76 | GAA (0.46) | SMN1; SMN2NLRP3P2RX7MEN1MAPT | |
| SCHEMBL28533908 | 0.76 | GAA (0.46) | SMN1; SMN2NLRP3P2RX7MEN1MAPT | |
| SCHEMBL13306140 | 0.76 | GAA (0.46) | SMN1; SMN2NLRP3P2RX7MEN1MAPT | |
| SCHEMBL25784969 | 0.75 | CREBBP (0.44) | GSK3BRAB9AADORA3ADORA2AADORA1 | |
| SCHEMBL28531034 | 0.71 | KIF11 (0.39) | SMN1; SMN2NLRP3P2RX7MEN1KMT2A | |
| SCHEMBL26620767 | 0.70 | GSK3B (0.37) | SMN1; SMN2GSK3BRAB9AKDM4EMEN1 | |
| SCHEMBL28371019 | 0.69 | MEN1 (0.41) | RAB9AHTTTNKS2KDM4EMEN1 | |
| SCHEMBL22570459 | 0.68 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1MAPTKMT2AADORA3 | |
| SCHEMBL21121186 | 0.68 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1MAPTKMT2AADORA3 | |
| SCHEMBL21121185 | 0.68 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1MAPTKMT2AADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011009523-A1 | EG5 AS BIOMARKER IN RARE THORACIC CANCER | MERCK PATENT GMBH (DE) | 2011-01-27 | — | — | WO | claimed |
| EP-1761515-B1 | 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2008-11-05 | — | — | EP | claimed |
| WO-2011009523-A1 | EG5 AS BIOMARKER IN RARE THORACIC CANCER | MERCK PATENT GMBH (DE) | 2011-01-27 | — | — | WO | disclosed |
| EP-1761515-B1 | 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2008-11-05 | — | — | EP | disclosed |