Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Alanine SCHEMBL9064738 | 1.00 | — | — | |
| Alanine SCHEMBL28824465 | 0.91 | SLC7A5 (0.46) | — | |
| Alanine SCHEMBL28824467 | 0.91 | SLC7A5 (0.46) | — | |
| Alanine SCHEMBL15658201 | 0.90 | SLC7A5 (0.50) | — | |
| Alanine SCHEMBL11211793 | 0.90 | — | — | |
| Alanine SCHEMBL22616405 | 0.88 | — | — | |
| Alanine SCHEMBL11876922 | 0.88 | SLC7A5 (0.48) | — | |
| Alanine SCHEMBL6468817 | 0.88 | SLC7A5 (0.48) | — | |
| Alanine SCHEMBL4853752 | 0.88 | — | — | |
| Alanine SCHEMBL254290 | 0.87 | SLC7A5 (0.59) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104193758-B | A kind of preparation method who extracts wedelolactone class monomeric compound from eclipta | NANJING HOPE-PHARM CO., LTD. (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-104193758-B | A kind of preparation method who extracts wedelolactone class monomeric compound from eclipta | NANJING HOPE-PHARM CO., LTD. (CN) | 2016-05-25 | — | — | CN | disclosed |
| WO-1994029242-A1 | THE BIOREMEDIATION OF SOILS CONTAINING HYDROCARBON USING CALCIUM PEROXIDE | FMC CORPORATION (US) | 1994-12-22 | — | — | WO | disclosed |