Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8038636 | 0.93 | CA1 (0.57) | LMNACA1CA2MMP1MMP2 | |
| Acetic Acid SCHEMBL27681643 | 0.86 | BCAT1 (0.51) | LMNACA1CA2MMP1MMP2 | |
| Ethyl Acetate SCHEMBL27270642 | 0.85 | GAA (0.51) | LMNACA1CA2F2PRSS1 | |
| SCHEMBL170426 | 0.80 | CA1 (0.59) | LMNACA1CA2MMP1MMP2 | |
| SCHEMBL692083 | 0.80 | LMNA (0.64) | LMNACA1CA2MMP1MMP2 | |
| Acetic Acid SCHEMBL27544357 | 0.79 | CA1 (0.57) | LMNACA1CA2MMP1MMP2 | |
| SCHEMBL1269819 | 0.78 | CA2 (0.54) | LMNACA1CA2MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL3956233 | 0.78 | LMNA (0.62) | LMNACA1CA2MMP1MMP2 | |
| SCHEMBL5931251 | 0.78 | SMN1; SMN2 (0.69) | LMNACA1CA2MMP1MMP2 | |
| Ammonia Solution, Strong SCHEMBL6098128 | 0.78 | LMNA (0.62) | LMNACA1CA2MMP1MMP2 |
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-1616432-A | Compound,its use and pharmaceutical compositions comprising same | ELAN PHARM INC (US) | 2005-05-18 | — | — | CN | disclosed |
| CN-1171878-C | Compounds, their use and pharmaceutical compositions containing them | ������˹ҩƷ��˾ | 2004-10-20 | — | — | CN | disclosed |
| CN-1242007-A | Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds | ELAND PHARMACEUTICAL CORP (US) | 2000-01-19 | — | — | CN | disclosed |