Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F
The experimentally established mechanism targets of Malic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Malic Acid SCHEMBL28118558 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2TSHRDAONAPRTCES2 | |
| Benzamide SCHEMBL27802023 | 0.85 | TSHR (0.59) | SMN1; SMN2TSHRKMOCPA1CPB1 | |
| Paraben SCHEMBL28145503 | 0.85 | CA2 (0.59) | SMN1; SMN2TSHRSRD5A2KMOTP53 | |
| Naphthalene SCHEMBL2936422 | 0.83 | SMN1; SMN2 (0.65) | SMN1; SMN2TSHRKMOCPA1CPB1 | |
| Terephthalic Acid SCHEMBL28003640 | 0.83 | SMN1; SMN2 (0.54) | SMN1; SMN2TSHRSRD5A2KMOTP53 | |
| Malic Acid SCHEMBL27794963 | 0.82 | SMN1; SMN2 (0.88) | SMN1; SMN2KMO | |
| Benzoic Acid SCHEMBL27236364 | 0.82 | TSHR (0.58) | SMN1; SMN2TSHRDAONAPRTCES2 | |
| Malic Acid SCHEMBL810935 | 0.81 | ALDH1A1 (0.66) | SMN1; SMN2NAPRTKMO | |
| Malic Acid SCHEMBL31380098 | 0.81 | ALDH1A1 (0.66) | SMN1; SMN2NAPRTKMO | |
| Phthalic Acid SCHEMBL10481733 | 0.81 | SMN1; SMN2 (0.56) | SMN1; SMN2TSHRNAPRTKMOCPA1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103459086-B | FLUX FOR SOLDERING AND SOLDER PASTE COMPOSITION | 播磨化成株式会社 | 2016-08-31 | — | — | CN | disclosed |
| EP-0783306-A4 | METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS | MERCK & CO INC (US) | 1998-09-23 | — | — | EP | disclosed |
| EP-0783306-A1 | METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS | MERCK & CO. INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996009824-A1 | METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS | MERCK & CO., INC. (US) | 1996-04-04 | — | — | WO | disclosed |
| WO-1996008239-A1 | USE OF 5-ALPHA-REDUCTASE INHIBITORS TO INCREASE HDL CHOLESTEROL LEVELS | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |
| EP-0663827-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1995-11-15 | — | — | EP | disclosed |
| EP-0679084-A4 | — | — | 1995-11-08 | — | — | EP | disclosed |
| EP-0679084-A1 | HYDANTOIN AND SUCCINIMIDE-SUBSTITUTED DERIVATIVES OF SPIROINDANYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1995-11-02 | — | — | EP | disclosed |
| WO-1995019773-A1 | CARBOSTYRIL OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-07-27 | — | — | WO | disclosed |
| EP-0663827-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-07-26 | — | — | EP | disclosed |
| WO-1995002607-A1 | 7-SUBSTITUTED-Δ4-6-AZASTEROID DERIVATIVES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |
| WO-1994021614-A1 | SUBSTITUTED 3-PHENANTHRIDINONE DERIVATIVES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1994-09-29 | — | — | WO | disclosed |
| WO-1994014438-A1 | HYDANTOIN AND SUCCINIMIDE-SUBSTITUTED DERIVATIVES OF SPIROINDANYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1994-07-07 | — | — | WO | disclosed |
| WO-1994007496-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-14 | — | — | WO | disclosed |
| WO-1993006092-A1 | PIPERAZINYL (SULFONYL)AMIDE DERIVATIVES OF CAMPHOR AS OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1993-04-01 | — | — | WO | disclosed |
| CN-1070399-A | The amide derivatives oxytocin antagonist that piperizinylcamphorsuoxytocin replaces | MERCK & CO INC (US) | 1993-03-31 | — | — | CN | disclosed |
| US-5137904-A | Useful in the treatment of atherosclerosis and thrombosis | G. D. SEARLE & CO. (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0486280-A2 | Piperidinylcamphorsulfonyl oxytocin antagonists | MERCK & CO. INC. (US) | 1992-05-20 | — | — | EP | disclosed |
| WO-1992007821-A1 | DIASTEREOISOMERS OF BICYCLO-SUBSTITUTED PHENYLACETONITRILE DERIVATIVES | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |
| US-3992542-A | Pharmaceutical compositions containing an N-(furyl-methyl)-6,14-(endoethano or endoetheno)-7α-hydroxyalkyl-tetrahydro-noroipavine or -northebaine and method of use | BOEHRINGER INGELHEIM GMBH (DT) | 1976-11-16 | — | — | US | disclosed |