Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27513747 | 0.92 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1HPGDMAPT | |
| SCHEMBL472280 | 0.82 | ALDH1A1 (0.58) | ALDH1A1GAAL3MBTL1HPGDMAPT | |
| SCHEMBL27278135 | 0.80 | EPHX1 (0.55) | ALDH1A1GAAL3MBTL1HPGDMAPT | |
| SCHEMBL10443326 | 0.78 | ALDH1A1 (0.50) | ALDH1A1GAAL3MBTL1HPGDMAPT | |
| SCHEMBL10441833 | 0.77 | ALDH1A1 (0.53) | ALDH1A1GAAL3MBTL1HPGDMAPT | |
| SCHEMBL24519245 | 0.77 | ALOX5 (0.46) | ALDH1A1MAPTTSHR | |
| SCHEMBL15442422 | 0.76 | ALDH1A1 (0.47) | ALDH1A1GAAL3MBTL1HPGDMAPT | |
| SCHEMBL29318752 | 0.75 | BRD4 (0.48) | ALDH1A1GAAHPGDKMT2AMEN1 | |
| SCHEMBL21348450 | 0.75 | GRM7 (0.45) | ALDH1A1L3MBTL1KMT2AKDM4EMEN1 | |
| SCHEMBL29318759 | 0.75 | ACACB (0.43) | TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |