Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.50 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3172791 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL29555604 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL3167890 | 0.86 | PDE10A (0.50) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL30918543 | 0.86 | PDE10A (0.50) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL28354663 | 0.86 | MAPT (0.53) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL358428 | 0.86 | HSP90AA1 (0.55) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL358934 | 0.86 | CASP6 (0.54) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL6142562 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL3173935 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1PDE10APOLB | |
| SCHEMBL3164630 | 0.84 | ERN1 (0.48) | ALDH1A1MAPTL3MBTL1PDE10APOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6054580-A | STERICALLY HINDERED CROWN COMPOUND LIGAND FOR COMPLEXING WITH TRANSITION METAL AS OXIDATION CATALYST RESISTANT TO OXIDIZER DURING USE | CARNEGIE MELLON UNIVERSITY (US) | 2000-04-25 | — | — | US | disclosed |