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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.30 |
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 SCHEMBL5118964 | 0.96 | MAPT (0.43) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL7709080 | 0.93 | MEN1 (0.38) | MAPTMEN1KMT2AATML3MBTL1 | |
| SCHEMBL719493 | 0.93 | MAPT (0.43) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL170202 | 0.92 | MEN1 (0.40) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL3414861 | 0.92 | MEN1 (0.40) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL3257080 | 0.92 | MEN1 (0.45) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL169173 | 0.90 | MEN1 (0.44) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL6865045 | 0.90 | MEN1 (0.38) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL627516 | 0.90 | MEN1 (0.38) | MAPTMEN1KMT2AATML3MBTL1 | |
| Acetic Acid SCHEMBL167529 | 0.89 | MEN1 (0.38) | MAPTMEN1KMT2AATML3MBTL1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170107207-A1 | AMINOPYRAZOLONE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2017-04-20 | — | — | US | disclosed |
| EP-3109239-A1 | AMINOPYRAZOLONE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-12-28 | — | — | EP | disclosed |
| CN-105980363-A | Aminopyrazolone Derivatives | 第三共株式会社 | 2016-09-28 | — | — | CN | disclosed |
| EP-2049541-B1 | N-[5-({2-[(CYCLOPROPYLCARBONYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-6-YL}OXY)-2-METHYLPHENYL]-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXAMIDE AS VEGFR INHIBITOR | TAKEDA PHARMACEUTICAL (JP) | 2015-09-23 | — | — | EP | disclosed |
| US-8273741-B2 | Imidazo-pyridazinyl compounds and uses thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| US-8044049-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-25 | — | — | US | disclosed |
| US-8034812-B2 | Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-11 | — | — | US | disclosed |
| US-20100273788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-28 | — | — | US | disclosed |
| US-20100168424-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-01 | — | — | US | disclosed |
| US-20090306374-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |
| CN-101541801-A | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2009-09-23 | — | — | CN | disclosed |
| US-20090137595-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | 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 (5 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-20100273788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | KDR, FLT1, FLT4 | MAPT 4269/4885MEN1 2551/4885KMT2A 1144/4885 |
| US-20090137595-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | KDR, FLT1, FLT4 | MAPT 4269/4885MEN1 2551/4885KMT2A 1144/4885 |
| US-20090306374-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | KDR, FLT1, FLT4 | MAPT 4269/4885MEN1 2551/4885KMT2A 1144/4885 |
| US-20170107207-A1 | AMINOPYRAZOLONE DERIVATIVE | ATAD5, ATP1A1, TIPRL | MAPT 2490/4885MEN1 2695/4885KMT2A 2345/4885 |
| US-20100168424-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | KDR, FLT1, FLT4 | MAPT 4432/4885MEN1 2426/4885KMT2A 1189/4885 |
“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.