Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28359645 | 1.00 | LMNA (0.36) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL27629349 | 0.98 | LMNA (0.37) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL4802998 | 0.98 | LMNA (0.37) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL29218392 | 0.98 | LMNA (0.37) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL10437942 | 0.98 | LMNA (0.37) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL5917219 | 0.98 | LMNA (0.37) | LMNAAKT1ESR1ADORA3CDC25A | |
| Potassium Ion SCHEMBL9267954 | 0.96 | HDAC3 (0.39) | LMNAAKT1ESR1ADORA3CDC25A | |
| Potassium Ion SCHEMBL2468282 | 0.96 | HDAC3 (0.39) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL9316982 | 0.96 | LMNA (0.36) | LMNAAKT1ESR1ADORA3CDC25A | |
| SCHEMBL28359553 | 0.96 | LMNA (0.36) | LMNAAKT1ESR1ADORA3CDC25A |
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-110791964-B | Treating agent for elastic fiber and elastic fiber | 竹本油脂株式会社 | 2020-10-23 | — | — | CN | disclosed |
| CN-110791964-A | Treating agent for elastic fiber and elastic fiber | 竹本油脂株式会社 | 2020-02-14 | — | — | CN | disclosed |