Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5267478 | 0.89 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10HIF1ASMN1; SMN2 | |
| SCHEMBL5267270 | 0.80 | SMN1; SMN2 (0.54) | ALDH1A1KDM4ESMN1; SMN2ADRB2 | |
| SCHEMBL5269274 | 0.80 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD17B10HIF1ASMN1; SMN2 | |
| SCHEMBL18432763 | 0.78 | KDM4E (0.39) | ALDH1A1KDM4ESMN1; SMN2GPR139TRPA1 | |
| SCHEMBL5268078 | 0.77 | SCN8A (0.40) | ALDH1A1KDM4ESMN1; SMN2ADRB2MAPT | |
| SCHEMBL5270005 | 0.77 | GAA (0.56) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL5265401 | 0.76 | L3MBTL1 (0.52) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL5266343 | 0.75 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ESMN1; SMN2ADRB2LMNA | |
| SCHEMBL12812170 | 0.75 | GPR139 (0.38) | ALDH1A1KDM4EGPR139TRPA1LMNA | |
| SCHEMBL5269453 | 0.73 | ADRB2 (0.54) | ALDH1A1SMN1; SMN2ADRB2LMNAMEN1 |
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-6894190-B2 | Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-05-17 | — | — | US | disclosed |