Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.48 |
| ▸ | BID | P55957 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SOX18 | P35713 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3001321 | 0.88 | FOLH1 (0.55) | KMT2AALDH1A1ADRB2HTTFOLH1 | |
| SCHEMBL15271550 | 0.83 | NR4A1 (0.53) | KMT2AFOLH1MCL1LMNAKDM4E | |
| SCHEMBL940131 | 0.81 | ALDH1A1 (0.60) | KMT2AALDH1A1ADRB2HTTFOLH1 | |
| SCHEMBL29975597 | 0.81 | FOLH1 (0.66) | KMT2AALDH1A1ADRB2HTTFOLH1 | |
| SCHEMBL166927 | 0.81 | FOLH1 (0.66) | KMT2AALDH1A1ADRB2HTTFOLH1 | |
| SCHEMBL17560213 | 0.81 | HMGB1 (0.45) | HTTFOLH1BIDBCL2L1MCL1 | |
| SCHEMBL4430762 | 0.81 | FOLH1 (0.55) | KMT2AALDH1A1ADRB2HTTFOLH1 | |
| SCHEMBL17597051 | 0.80 | CA2 (0.45) | KMT2AALDH1A1ADRB2BIDBCL2L1 | |
| SCHEMBL5981124 | 0.80 | G6PD (0.55) | KMT2AALDH1A1ADRB2HTTFOLH1 | |
| SCHEMBL15777342 | 0.80 | CLCN2 (0.50) | ALDH1A1HTTFOLH1HMGB1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394057-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | Neurocrine Biosciences Inc. (US) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017112857-A1 | SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) | NEUROCRINE BIOSCIENCES, INC. (US) | 2017-06-29 | — | — | WO | disclosed |
| EP-2324009-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | Eisai R&D Management Co., Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010025197-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-04 | — | — | WO | disclosed |