Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 11/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969974 | 0.81 | MAPK1 (0.38) | — | |
| SCHEMBL28389604 | 0.77 | LIG1 (0.38) | HSD17B10 | |
| SCHEMBL7973093 | 0.67 | MEN1 (0.41) | PKMKDM4EHSD17B10CASP1HPGD | |
| SCHEMBL4827312 | 0.67 | ESR2 (0.50) | PKMADORA2BHCAR2ALDH1A1 | |
| SCHEMBL2506855 | 0.66 | ADORA2B (0.38) | PKMADORA2BKDM4EHSD17B10CASP1 | |
| SCHEMBL28389605 | 0.60 | LIG1 (0.33) | — | |
| SCHEMBL6848707 | 0.60 | CYP19A1 (0.39) | PKMADORA2BKDM4EHSD17B10CASP1 | |
| SCHEMBL7973421 | 0.60 | CYP19A1 (0.39) | PKMADORA2BKDM4EHSD17B10CASP1 | |
| SCHEMBL9332756 | 0.60 | ALDH1A1 (0.38) | PKMADORA2BKDM4EHSD17B10CASP1 | |
| Oxalic Acid SCHEMBL7592810 | 0.58 | HCAR2 (0.37) | PKMADORA2BHCAR2ALDH1A1 |
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-6291679-B1 | REACTING 3-OXO-6-PHENYLCYCLOHEX-1-ENE-1-CARBOXYLATE WITH ENZYME FORMING OPTICAL ISOMER; TREATING WITH AMINE PROTECTED N-TRIALKYLSILYLMETHYL-N-(ALKOXYMETHYL)AMINE TO FORM PHENYLPERHYDROISOINDOLE-3A-CARBOXYLATE DERIVATIVE, CYCLIZATION | RHONE-POULENC RORER S.A. (FR) | 2001-09-18 | — | — | US | disclosed |