Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL288795 | 0.85 | ERN1 (0.40) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL28845205 | 0.85 | KDM4E (0.41) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL5618594 | 0.84 | PARP1 (0.38) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL1018547 | 0.83 | PARP1 (0.42) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL10630450 | 0.82 | PARP1 (0.37) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| Bromide SCHEMBL9317974 | 0.82 | PARP1 (0.37) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL28144405 | 0.81 | MAPT (0.34) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL59737 | 0.81 | NNMT (0.36) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL4155497 | 0.81 | PKM (0.36) | GABRA1GABRB2MAPTKDM4EALDH1A1 | |
| SCHEMBL27516244 | 0.81 | GABRP (0.36) | GABRA1GABRB2MAPTKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105408432-A | Compositions comprising alkyl 3-hydroxybutyrate | EASTMAN CHEM CO | 2016-03-16 | — | — | CN | claimed |
| CN-1918147-A | 1,2,3, 4-tetrahydroisoquinoline derivatives, preparation and use thereof | ASTRAZENECA AB (SE) | 2007-02-21 | — | — | CN | disclosed |