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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | TPMT | P51580 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30046045 | 0.95 | TSHR (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL543851 | 0.95 | TSHR (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL25362419 | 0.88 | MAPT (0.50) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6652841 | 0.83 | KDM4E (0.49) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL27659231 | 0.83 | CA12 (0.70) | CA12CA1CA2CA4CA6 | |
| SCHEMBL25362422 | 0.83 | KMT2A (0.62) | CYP1A2CYP3A4MAPTRAB9APOLB | |
| Acetic Acid SCHEMBL27275952 | 0.81 | TSHR (0.40) | CA12CA1CA2CA7CA9 | |
| Acetic Acid SCHEMBL28263718 | 0.77 | CES2 (0.56) | NPC1RAB9ASMN1; SMN2ABCG2ALDH1A1 | |
| SCHEMBL9311035 | 0.77 | MEN1 (0.53) | TPMTTSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7956486 | 0.76 | TSHR (0.66) | CA12CA1CA2CA4CA6 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106103124-B | Printable recording media | 惠普发展公司，有限责任合伙企业 | 2019-04-05 | — | — | CN | disclosed |
| CN-105008373-B | The condensed naphthopyran compounds of substituted 5,6- ring- | 光学转变公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-106459649-A | Primer coating composition | PPG工业俄亥俄公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106103124-A | Printable recording media | 惠普发展公司，有限责任合伙企业 | 2016-11-09 | — | — | CN | disclosed |
| CN-103796839-B | Printing medium | 惠普发展公司，有限责任合伙企业 | 2016-08-24 | — | — | CN | disclosed |
| CN-105849148-A | Curable compositions that include hydrazide functional materials | PPG工业俄亥俄公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-105612228-A | Photochromic optical articles having allophanate protective coatings and methods of making the same | TRANSITIONS OPTICAL INC | 2016-05-25 | — | — | CN | disclosed |
| CN-105163950-A | Printable recording media | HEWLETT PACKARD DEVELOPMENT CO | 2015-12-16 | — | — | CN | disclosed |
| CN-105008373-A | SUBSTITUTED 5,6-RING-FUSED NAPHTHOPYRAN COMPOUNDS | TRANSITIONS OPTICAL INC | 2015-10-28 | — | — | CN | disclosed |
| CN-102939073-B | Compositions for use as assay reagents | SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) | 2015-08-26 | — | — | CN | disclosed |
| CN-102770465-B | Macro-photoinitiators and curable compositions thereof | Henkel US IP LLC | 2015-04-22 | — | — | CN | disclosed |
| CN-103796839-A | Printing medium | HEWLETT PACKARD DEVELOPMENT CO | 2014-05-14 | — | — | CN | disclosed |
| CN-103649787-A | Reflective article having a sacrificial cathodic layer | PPG IND OHIO INC | 2014-03-19 | — | — | CN | disclosed |
| CN-102770465-A | Macro-photoinitiators and curable compositions thereof | HENKEL CORP | 2012-11-07 | — | — | CN | disclosed |
| CN-101506259-A | Aqueous-based polymers for sound deadening applications | PPG IND OHIO INC (US) | 2009-08-12 | — | — | CN | disclosed |
| CN-1832969-A | Etherified carbamate functional copolymers of isobutylene type monomers, and their use in curable compositions | PPG IND OHIO INC (US) | 2006-09-13 | — | — | CN | disclosed |