Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24779295 | 0.94 | TRPV1 (0.36) | GAATDP1L3MBTL1BCHETRPV1 | |
| SCHEMBL8209092 | 0.88 | HTR2A (0.40) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15656638 | 0.85 | CNR2 (0.38) | BCHETRPV1CA2SMN1; SMN2DHODH | |
| SCHEMBL8203452 | 0.80 | CYP1A2 (0.36) | GAATDP1CA2SMN1; SMN2KEAP1 | |
| SCHEMBL24272793 | 0.79 | NCEH1 (0.34) | GAATDP1L3MBTL1BCHESMN1; SMN2 | |
| SCHEMBL8207054 | 0.79 | HTR1B (0.40) | GAATDP1L3MBTL1NCEH1 | |
| SCHEMBL15658045 | 0.78 | GAA (0.40) | GAATDP1L3MBTL1BCHESMN1; SMN2 | |
| SCHEMBL29176 | 0.77 | MAPT (0.39) | TDP1L3MBTL1CYP1A2ALDH1A1HPGD | |
| SCHEMBL29361524 | 0.77 | MAPT (0.39) | TDP1L3MBTL1CYP1A2ALDH1A1HPGD | |
| SCHEMBL146878 | 0.76 | ALDH1A1 (0.44) | TDP1CYP1A2ALDH1A1HSD17B10 |
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-6197996-B1 | ASYMMETRICALLY HYDROGENATING GAMMA-TRIMETHYLAMMONIUM-3-OXABUTANOIC ESTER HALIDE IN PRESENCE OF RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX AS CATALYST, RECOVERING OPTICALLY ACTIVE CARNITINE ESTER FORMED | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-03-06 | — | — | US | disclosed |