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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 3/20 | 0.64 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.64 |
| ▸ | CA9 | Q16790 | 7/20 | 0.72 |
| ▸ | CA1 | P00915 | 6/20 | 0.72 |
| ▸ | CA2 | P00918 | 3/20 | 0.72 |
| ▸ | CA4 | P22748 | 3/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.66 |
| ▸ | CA12 | O43570 | 6/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | GFER | P55789 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8066756 | 0.95 | ESR1 (0.70) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL9339007 | 0.89 | CA9 (0.77) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL4234750 | 0.88 | CA9 (0.77) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL5010584 | 0.86 | CA9 (0.85) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL30725842 | 0.86 | ESR1 (0.75) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL7197151 | 0.86 | ESR1 (0.75) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL9742475 | 0.84 | CA9 (0.71) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL28410207 | 0.83 | NPSR1 (0.63) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL1618163 | 0.83 | KMT2A (0.76) | CA9CA1CA2CA4NPSR1 | |
| SCHEMBL28413453 | 0.82 | ESR1 (0.69) | CA9CA1CA2CA4NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5001135-A | — | — | None | — | — | JP | disclosed |
| JP-H051135-A | FILAMENT-FORMABLE POLYIMIDE-ESTER | E I DU PONT DE NEMOURS & CO | 1993-01-08 | — | — | JP | disclosed |