Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | STS | P08842 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10979976 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL27889920 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL13401911 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL6057197 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL7519234 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL28816320 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL28807892 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL27889922 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL27906427 | 0.90 | ALDH1A1 (0.73) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL4438838 | 0.88 | ESR1 (0.68) | ALDH1A1NPC1MAPTRAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001051528-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |
| WO-2001051529-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |