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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | GNPAT | O15228 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 2/20 | 0.36 |
| ▸ | CTH | P32929 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20521 | 0.93 | CA2 (0.44) | CA2CA4GNPATSMN1; SMN2MAPT | |
| SCHEMBL472192 | 0.93 | CA2 (0.44) | CA2CA4GNPATSMN1; SMN2MAPT | |
| Phosphine SCHEMBL27579074 | 0.91 | CA2 (0.42) | CA2CA4GNPATSMN1; SMN2MAPT | |
| SCHEMBL10801439 | 0.91 | CA2 (0.42) | CA2CA4GNPATSMN1; SMN2MAPT | |
| SCHEMBL28372032 | 0.91 | CA2 (0.42) | CA2CA4GNPATSMN1; SMN2MAPT | |
| SCHEMBL10801445 | 0.91 | CA2 (0.42) | CA2CA4GNPATSMN1; SMN2MAPT | |
| SCHEMBL28623751 | 0.91 | CA2 (0.42) | CA2CA4GNPATSMN1; SMN2MAPT | |
| SCHEMBL28623754 | 0.91 | CA2 (0.42) | CA2CA4GNPATSMN1; SMN2MAPT | |
| Methacrylic Acid SCHEMBL28899440 | 0.88 | TGFBR1 (0.42) | CA2CA4GNPATSMN1; SMN2KDM4E | |
| SCHEMBL18794824 | 0.85 | CA2 (0.39) | CA2CA4GNPATSMN1; SMN2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001010413-A2 | PERIODIC STRUCTURES COMPRISING LIPIDS, POLYELECTROLYTES, AND STRUCTURES-INDUCING SOLUBLE OLIGOVALENT LINKERS | IDEA AG (DE) | 2001-02-15 | — | — | WO | claimed |
| WO-2001010413-A2 | PERIODIC STRUCTURES COMPRISING LIPIDS, POLYELECTROLYTES, AND STRUCTURES-INDUCING SOLUBLE OLIGOVALENT LINKERS | IDEA AG (DE) | 2001-02-15 | — | — | WO | disclosed |