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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 SCHEMBL27782195 | 1.00 | KMT2A (0.55) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| SCHEMBL4731036 | 0.96 | KMT2A (0.58) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| SCHEMBL12067910 | 0.96 | KMT2A (0.58) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| SCHEMBL487429 | 0.96 | KMT2A (0.58) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL27549891 | 0.95 | KMT2A (0.56) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL6349111 | 0.95 | KMT2A (0.56) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL6427164 | 0.95 | KMT2A (0.56) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| Formic Acid SCHEMBL2806812 | 0.90 | KMT2A (0.56) | KMT2ALTA4HDPP4CYP3A4CYP1A2 | |
| SCHEMBL8219735 | 0.80 | DPP4 (0.52) | DPP4CYP2D6MAPK1LMNAALDH1A1 | |
| SCHEMBL19649931 | 0.80 | DPP4 (0.52) | DPP4CYP2D6MAPK1LMNAALDH1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106231-B2 | Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt | INDENA S.P.A. (IT) | 2012-01-31 | — | — | US | claimed |
| US-20100168460-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | INDENA S.P.A. (IT) | 2010-07-01 | — | — | US | claimed |
| EP-1961735-B1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | INDENA SPA (IT) | 2009-11-18 | — | — | EP | claimed |
| WO-2008101608-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | INDENA S.P.A. (IT) | 2008-08-28 | — | — | WO | claimed |
| EP-1961735-A1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | Indena S.P.A. (IT) | 2008-08-27 | — | — | EP | claimed |
| CN-101675028-B | Method for preparing (2R,3S) -3-phenylisoserine methyl ester acetate | INDENA SPA | 2013-01-30 | — | — | CN | disclosed |
| US-8106231-B2 | Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt | INDENA S.P.A. (IT) | 2012-01-31 | — | — | US | disclosed |
| US-8106231-B2 | Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt | INDENA S.P.A. (IT) | 2012-01-31 | — | — | US | disclosed |
| US-8106231-B2 | Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt | INDENA S.P.A. (IT) | 2012-01-31 | — | — | US | disclosed |
| US-20100168460-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | INDENA S.P.A. (IT) | 2010-07-01 | — | — | US | disclosed |
| US-20100168460-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | INDENA S.P.A. (IT) | 2010-07-01 | — | — | US | disclosed |
| EP-1961735-B1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | INDENA SPA (IT) | 2009-11-18 | — | — | EP | disclosed |
| EP-1961735-B1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | INDENA SPA (IT) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008101608-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | INDENA S.P.A. (IT) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008101608-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | INDENA S.P.A. (IT) | 2008-08-28 | — | — | WO | disclosed |
| EP-1961735-A1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | Indena S.P.A. (IT) | 2008-08-27 | — | — | EP | disclosed |
| EP-1961735-A1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | Indena S.P.A. (IT) | 2008-08-27 | — | — | EP | disclosed |
| EP-1961735-A1 | Process for the preparation of (2r,3s)-3-phenylisoserine methyl ester acetate salt | Indena S.P.A. (IT) | 2008-08-27 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100168460-A1 | PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT | SPTSSB, SRR, MTAP | ADRA2A 3268/4885ADRA2C 2352/4885KMT2A 1909/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.