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 | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 20/20 | 0.81 |
| ▸ | MET | P08581 | 20/20 | 0.81 |
| ▸ | KDR | P35968 | 19/20 | 0.81 |
| ▸ | AURKA | O14965 | 1/20 | 0.72 |
| ▸ | JAK2 | O60674 | 1/20 | 0.72 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.72 |
| ▸ | ABL1 | P00519 | 1/20 | 0.72 |
| ▸ | INSR | P06213 | 1/20 | 0.72 |
| ▸ | LCK | P06239 | 1/20 | 0.72 |
| ▸ | FES | P07332 | 1/20 | 0.72 |
| ▸ | CSF1R | P07333 | 1/20 | 0.72 |
| ▸ | LYN | P07948 | 1/20 | 0.72 |
| ▸ | RET | P07949 | 1/20 | 0.72 |
| ▸ | FGR | P09769 | 1/20 | 0.72 |
| ▸ | KIT | P10721 | 1/20 | 0.72 |
| ▸ | PIM1 | P11309 | 1/20 | 0.72 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.72 |
| ▸ | SRC | P12931 | 1/20 | 0.72 |
| ▸ | PRKACA | P17612 | 1/20 | 0.72 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.72 |
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 SCHEMBL3674561 | 1.00 | IGF1R (0.81) | IGF1RMETKDRAURKAJAK2 | |
| SCHEMBL11911661 | 0.99 | IGF1R (0.82) | IGF1RMETKDRAURKAJAK2 | |
| SCHEMBL373798 | 0.99 | IGF1R (0.82) | IGF1RMETKDRAURKAJAK2 | |
| SCHEMBL3674699 | 0.99 | IGF1R (0.82) | IGF1RMETKDRAURKAJAK2 | |
| Hydrochloric Acid SCHEMBL374042 | 0.98 | IGF1R (0.81) | IGF1RMETKDRAURKAJAK2 | |
| Hydrochloric Acid SCHEMBL3676223 | 0.98 | IGF1R (0.81) | IGF1RMETKDRAURKAJAK2 | |
| Hydrochloric Acid SCHEMBL374240 | 0.98 | IGF1R (0.81) | IGF1RMETKDRAURKAJAK2 | |
| Oxalic Acid SCHEMBL377624 | 0.97 | IGF1R (0.81) | IGF1RMETKDRAURKAJAK2 | |
| Oxalic Acid SCHEMBL377625 | 0.97 | IGF1R (0.81) | IGF1RMETKDRAURKAJAK2 | |
| Phosphoric Acid SCHEMBL377386 | 0.97 | IGF1R (0.80) | IGF1RMETKDRAURKAJAK2 |
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-2408300-B1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | SUNSHINE LAKE PHARMA CO LTD (CN) | 2016-05-11 | — | — | EP | disclosed |
| EP-2408300-A1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | Sunshine Lake Pharma Co., Ltd (CN) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010111063-A1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | XI NING (US) | 2010-09-30 | — | — | WO | disclosed |