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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6439758 | 0.81 | BRD4 (0.45) | SMN1; SMN2BRD4BRD9KDM4EPARP1 | |
| Benzamide SCHEMBL27802023 | 0.72 | TSHR (0.59) | SMN1; SMN2KMOPARP1PARP10CYP2C19 | |
| Malic Acid SCHEMBL28021449 | 0.71 | SMN1; SMN2 (0.43) | SMN1; SMN2KMOKDM4ECYP2C19CYP2D6 | |
| Malic Acid SCHEMBL27676626 | 0.70 | SMN1; SMN2 (0.79) | SMN1; SMN2KMOMAPTTDP1 | |
| Malic Acid SCHEMBL31259462 | 0.69 | SMN1; SMN2 (0.47) | SMN1; SMN2KMOPARP1PARP10CYP2C19 | |
| Malic Acid SCHEMBL28117542 | 0.68 | SMN1; SMN2 (0.75) | SMN1; SMN2MAPTBLMTDP1 | |
| Malic Acid SCHEMBL5874293 | 0.68 | SMN1; SMN2 (0.83) | SMN1; SMN2MAPTTDP1 | |
| Malic Acid SCHEMBL5874290 | 0.68 | SMN1; SMN2 (0.83) | SMN1; SMN2MAPTTDP1 | |
| Malic Acid SCHEMBL27657883 | 0.68 | SMN1; SMN2 (0.83) | SMN1; SMN2KMOTDP1 | |
| Malic Acid SCHEMBL121545 | 0.68 | SMN1; SMN2 (0.94) | SMN1; SMN2KMOTDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100439360-C | Crystal of malate comprising N- [2- (diethylamino) ethyl ] -5- [ (5-fluoro-2-oxo-3H-indol-3-ylidene) methyl ] -2, 4-dimethyl-1H-pyrrole-3-carboxamide, method for preparing same and composition thereof | UPJOHN CO (US) | 2008-12-03 | — | — | CN | claimed |
| CN-100364991-C | Crystals including a malic acid salt of a 3-pyrrole substituted 2-indolinone, and compositions thereof | UPJOHN CO (US) | 2008-01-30 | — | — | CN | claimed |
| CN-1789264-A | Crystals including a malic acid salt of a 3-pyrrole substituted 2-indolinone, and compositions thereof | UPJOHN CO (US) | 2006-06-21 | — | — | CN | claimed |
| CN-1543462-A | Crystal of malate comprising N- [ 2- (diethylamino) ethyl ] -5- [ (5-fluoro-2-oxo-3H-indol-3-ylidene) methyl ] -2, 4-dimethyl-1H-pyrrole-3-carboxamide, method for preparing same and composition thereof | �������Ŷ���Լ��������˾ | 2004-11-03 | — | — | CN | claimed |
| CN-100439360-C | Crystal of malate comprising N- [2- (diethylamino) ethyl ] -5- [ (5-fluoro-2-oxo-3H-indol-3-ylidene) methyl ] -2, 4-dimethyl-1H-pyrrole-3-carboxamide, method for preparing same and composition thereof | UPJOHN CO (US) | 2008-12-03 | — | — | CN | disclosed |
| CN-100364991-C | Crystals including a malic acid salt of a 3-pyrrole substituted 2-indolinone, and compositions thereof | UPJOHN CO (US) | 2008-01-30 | — | — | CN | disclosed |
| CN-1789264-A | Crystals including a malic acid salt of a 3-pyrrole substituted 2-indolinone, and compositions thereof | UPJOHN CO (US) | 2006-06-21 | — | — | CN | disclosed |
| CN-1543462-A | Crystal of malate comprising N- [ 2- (diethylamino) ethyl ] -5- [ (5-fluoro-2-oxo-3H-indol-3-ylidene) methyl ] -2, 4-dimethyl-1H-pyrrole-3-carboxamide, method for preparing same and composition thereof | �������Ŷ���Լ��������˾ | 2004-11-03 | — | — | CN | disclosed |