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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15069541 | 0.96 | NPC1 (0.38) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL15068478 | 0.96 | NPC1 (0.38) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| Acetic Acid SCHEMBL15068827 | 0.92 | NPC1 (0.35) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL15068502 | 0.87 | NPC1 (0.38) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL15069600 | 0.85 | NPC1 (0.40) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL15068620 | 0.85 | NPC1 (0.40) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL15068886 | 0.83 | NPC1 (0.38) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| Acetic Acid SCHEMBL15069360 | 0.83 | NPC1 (0.37) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL27262293 | 0.83 | SUV39H2 (0.43) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL15069066 | 0.82 | NPC1 (0.38) | NPC1ALDH1A1RAB9AKDM4EL3MBTL1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE47689-E1 | Compounds for treating spinal muscular atrophy | PTC THERAPEUTICS, INC. (US) | 2019-11-05 | — | — | US | claimed |
| EP-2797592-B1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | PTC THERAPEUTICS INC (US) | 2019-08-28 | — | — | EP | claimed |
| US-9617268-B2 | Compounds for treating spinal muscular atrophy | PTC THERAPEUTICS, INC. (US) | 2017-04-11 | — | — | US | claimed |
| WO-2015095449-A1 | METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS | PTC THERAPEUTICS, INC. (US) | 2015-06-25 | — | — | WO | claimed |
| US-20150119380-A1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-30 | — | — | US | claimed |
| EP-2797592-A1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | PTC Therapeutics, Inc. (US) | 2014-11-05 | — | — | EP | claimed |
| WO-2013101974-A1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | PTC THERAPEUTICS, INC. (US) | 2013-07-04 | — | — | WO | claimed |
| EP-2797592-B1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | PTC THERAPEUTICS INC (US) | 2019-08-28 | — | — | EP | disclosed |
| WO-2015095449-A1 | METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS | PTC THERAPEUTICS, INC. (US) | 2015-06-25 | — | — | 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-20150119380-A1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | SMN1; SMN2, RBM17, RBM22 | ESR1 3245/4885ESR2 1889/4885NPC1 4329/4885 |
“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.