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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | GABRR1 | P24046 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1963237 | 0.91 | GABRR1 (0.50) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL722221 | 0.85 | GABRR1 (0.50) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL9782998 | 0.85 | GABRR1 (0.50) | POLBTDP1APEX1GABRR1LMNA | |
| Acetic Acid SCHEMBL6723787 | 0.83 | GABRR1 (0.43) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL9494071 | 0.80 | GABRR1 (0.46) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL1297964 | 0.80 | PEPD (0.48) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL8400202 | 0.80 | KDM4E (0.44) | POLBTDP1APEX1LMNAKDM4E | |
| SCHEMBL6864216 | 0.79 | GABRR1 (0.50) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL18192036 | 0.79 | PPP5C (0.47) | POLBTDP1APEX1GABRR1LMNA | |
| SCHEMBL13685795 | 0.79 | PPP5C (0.47) | POLBTDP1APEX1GABRR1LMNA |
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-1368411-A1 | PHOTOACTIVE POLYMER | Rolic AG (CH) | 2003-12-10 | — | — | EP | claimed |
| WO-2002062873-A1 | PHOTOACTIVE POLYMER | ROLIC AG (CH) | 2002-08-15 | — | — | WO | claimed |
| WO-2020026495-A1 | FLEXIBLE ELECTRONIC ELEMENT SUBSTRATE, ORGANIC THIN FILM SOLAR CELL, LAMINATED STRUCTURE AND METHOD FOR MANUFACTURING THE SAME, AND METHOD FOR MANUFACTURING FLEXIBLE ELECTRONIC ELEMENT | 国立研究開発法人理化学研究所 | 2020-02-06 | — | — | WO | disclosed |