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 | 4/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.73 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.73 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.64 |
| ▸ | LCK | P06239 | 1/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | OR51E2 | Q9H255 | 2/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27827411 | 0.95 | LMNA (0.80) | LMNAALOX15BLMPMP22FFAR3 | |
| Acetic Acid SCHEMBL1715034 | 0.95 | — | — | |
| Acetic Acid SCHEMBL28385300 | 0.95 | LMNA (0.80) | LMNAALOX15BLMPMP22FFAR3 | |
| Acetic Acid SCHEMBL27639868 | 0.91 | FFAR3 (0.64) | LMNAALOX15BLMPMP22FFAR3 | |
| Acetic Acid SCHEMBL18979653 | 0.91 | LMNA (0.73) | LMNAALOX15BLMPMP22FFAR3 | |
| Acetic Acid SCHEMBL27827814 | 0.91 | — | — | |
| Acetic Acid SCHEMBL16196241 | 0.91 | LMNA (0.73) | LMNAALOX15BLMPMP22FFAR3 | |
| Acetic Acid SCHEMBL18979632 | 0.91 | LMNA (0.73) | LMNAALOX15BLMPMP22FFAR3 | |
| Acetic Acid SCHEMBL27799892 | 0.91 | — | — | |
| Acetic Acid SCHEMBL27645349 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1104428-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL) IMINODIACETIC ACID | MONSANTO COMPANY (US) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009520-A9 | CONTINUOUS PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL) IMINODIACETIC ACID | MONSANTO CO (US) | 2000-09-28 | — | — | WO | disclosed |
| WO-2000009520-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL) IMINODIACETIC ACID | MONSANTO COMPANY (US) | 2000-02-24 | — | — | WO | disclosed |