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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 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 SCHEMBL6685363 | 1.00 | TDP1 (0.42) | TDP1ALDH1A1GABRPGABRDGABRA1 | |
| SCHEMBL545348 | 0.95 | — | — | |
| SCHEMBL289124 | 0.95 | — | — | |
| SCHEMBL61005 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL15390233 | 0.92 | GABRP (0.42) | TDP1ALDH1A1GABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL15268775 | 0.92 | GABRP (0.42) | TDP1ALDH1A1GABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL5194767 | 0.92 | GABRP (0.42) | TDP1ALDH1A1GABRPGABRDGABRA1 | |
| SCHEMBL13397307 | 0.81 | — | — | |
| SCHEMBL16388297 | 0.81 | — | — | |
| SCHEMBL14288629 | 0.81 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100875-B1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | TAKASAGO PERFUMERY CO LTD (JP) | 2016-11-16 | — | — | EP | disclosed |
| EP-1685092-B1 | ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES | TAKASAGO PERFUMERY CO LTD (JP) | 2010-01-13 | — | — | EP | disclosed |
| US-7626034-B2 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-12-01 | — | — | US | disclosed |
| EP-2100875-A1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | Takasago International Corporation (JP) | 2009-09-16 | — | — | EP | disclosed |
| US-20070142443-A1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |
| EP-1685092-A2 | ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES | Takasago International Corporation (JP) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005028419-A2 | ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2005-03-31 | — | — | WO | 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-20070142443-A1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | AADAT, BCAT2, BCAT1 | TDP1 4621/4885ALDH1A1 326/4885GABRP 518/4885 |
“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.