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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | HPGD | P15428 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CRAT | P43155 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CRHBP | P24387 | 2/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.38 |
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 SCHEMBL3691173 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDRAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL13409935 | 0.95 | ALDH1A1 (0.51) | ALDH1A1HPGDRAB9AL3MBTL1SMN1; SMN2 | |
| Acetic Acid SCHEMBL3683761 | 0.88 | ROCK2 (0.44) | ALDH1A1RAB9ASMN1; SMN2HTTNPC1 | |
| Acetic Acid SCHEMBL3683756 | 0.88 | ROCK2 (0.44) | ALDH1A1RAB9ASMN1; SMN2HTTNPC1 | |
| SCHEMBL3691175 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDRAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL13409936 | 0.83 | ROCK2 (0.47) | ALDH1A1RAB9ASMN1; SMN2HTTNPC1 | |
| Acetic Acid SCHEMBL3681914 | 0.82 | LTA4H (0.53) | ALDH1A1RAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL14822898 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HPGDRAB9AL3MBTL1SMN1; SMN2 | |
| Acetic Acid SCHEMBL3681912 | 0.77 | LTA4H (0.55) | ALDH1A1RAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL13409933 | 0.76 | LTA4H (0.57) | ALDH1A1RAB9ASMN1; SMN2NPC1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410150-B2 | Inhibitors of carnitine palmitoyltransferase and treating cancer | UNIVERSITY HEALTH NETWORK (CA) | 2013-04-02 | — | — | US | disclosed |
| US-20100105900-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK | 2010-04-29 | — | — | 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 (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-20100105900-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | CPT1A, CPT1B, CPT2 | ALDH1A1 236/4885HPGD 691/4885RAB9A 3687/4885 |
“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.