Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 5/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005210 | 0.83 | AKT1 (0.39) | AKT1AKT2PSMB5SCN10APDE10A | |
| SCHEMBL10102637 | 0.83 | ALDH1A1 (0.37) | KDM4EALDH1A1CASP1RAB9ACASP7 | |
| SCHEMBL10102675 | 0.78 | PSMB5 (0.43) | AKT1AKT2PSMB5PDE10ADHFR | |
| SCHEMBL10102678 | 0.77 | AKT1 (0.37) | AKT1AKT2PSMB5PDE10APTGFR | |
| SCHEMBL10107981 | 0.75 | KIF11 (0.38) | PTGFRKDM4EALDH1A1HPGD | |
| SCHEMBL13004928 | 0.74 | DHODH (0.46) | PTGFRRXRARXRBRXRGKDM4E | |
| SCHEMBL13005241 | 0.74 | GPBAR1 (0.40) | KDM4EL3MBTL1 | |
| SCHEMBL10102671 | 0.73 | DHODH (0.46) | RXRARXRBRXRGKDM4EDHODH | |
| SCHEMBL3386183 | 0.73 | PIK3CG (0.40) | SCN10AALDH1A1HPGDRAB9A | |
| SCHEMBL10102677 | 0.73 | VSIR (0.38) | AKT1AKT2PSMB5PTGFRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1891011-B1 | TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 | MERCK PATENT GMBH (DE) | 2010-12-08 | — | — | EP | disclosed |