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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.88 |
| ▸ | LCK | P06239 | 1/20 | 0.88 |
| ▸ | FYN | P06241 | 1/20 | 0.88 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 SCHEMBL11400525 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL462200 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL8061222 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL11246672 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL21197465 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL2916665 | 1.00 | — | — | |
| Acetic Acid SCHEMBL20553940 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL21596426 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL20537337 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL11962949 | 1.00 | FFAR3 (0.88) | FFAR3LCKFYNLMNATSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2025667-B1 | 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | NIPPON SHINYAKU CO LTD (JP) | 2016-08-10 | — | — | EP | disclosed |
| US-8796246-B2 | 9, 10-secopregnane derivative and pharmaceutical | NIPPON SHINYAKU CO., LTD. (JP) | 2014-08-05 | — | — | US | disclosed |
| US-20100130454-A1 | 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE | NIPPON SHINYAKU CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| US-20100016263-A1 | 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | NIPPON SHINYAKU CO., LTD. (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2025667-A1 | 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | Nippon Shinyaku Co., Ltd. (JP) | 2009-02-18 | — | — | EP | disclosed |
| EP-1829860-A1 | 9,10-SECOPREGNANE DERIVATIVE AND MEDICINE | Nippon Shinyaku Co., Ltd. (JP) | 2007-09-05 | — | — | 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 (2 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-20100130454-A1 | 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE | VDR, CYP2R1, CYP24A1 | FFAR3 80/4885LCK 3373/4885FYN 2649/4885 |
| US-20100016263-A1 | 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL | CYP2R1, VDR, CYP24A1 | FFAR3 79/4885LCK 2879/4885FYN 1355/4885 |
“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.