Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.51 |
| ▸ | RELA | Q04206 | 2/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3403673 | 0.95 | ALDH1A1 (0.58) | MGAMALDH1A1MAPTGAACNR2 | |
| SCHEMBL29540332 | 0.85 | MGAM (0.68) | MGAMALDH1A1MAPTGAACNR2 | |
| SCHEMBL367913 | 0.85 | MGAM (0.68) | MGAMALDH1A1MAPTGAACNR2 | |
| SCHEMBL29135887 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 | |
| Hydrochloric Acid SCHEMBL3401098 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 | |
| SCHEMBL5788456 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 | |
| SCHEMBL31434313 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 | |
| Ammonia Solution, Strong SCHEMBL29239526 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 | |
| Hydrochloric Acid SCHEMBL3400880 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 | |
| SCHEMBL5788458 | 0.84 | MGAM (0.66) | MGAMALDH1A1MAPTGAACNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100569753-C | Crystal of mesylate salt of 4- (3-chloro-4- (cyclopropylaminocarbonyl) aminophenoxy) -7-methoxy-6-quinolinecarboxamide and process for producing the same | EISAI R&D MAN CO LTD (JP) | 2009-12-16 | — | — | CN | disclosed |
| CN-101337933-A | Crystal of quinoline carboxamide mesylate and process for producing the same | EISAI CO LTD (JP) | 2009-01-07 | — | — | CN | disclosed |
| CN-101337931-A | Crystal of acetic acid compound of quinoline carboxamide mesylate and preparation method thereof | EISAI CO LTD (JP) | 2009-01-07 | — | — | CN | disclosed |
| CN-101337932-A | Crystal (B) of quinoline carboxamide mesylate and process for producing the same | EISAI CO LTD (JP) | 2009-01-07 | — | — | CN | disclosed |