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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6640348 | 0.92 | PGR (0.40) | PGRBACE1HDAC4HTR2ATGM2 | |
| SCHEMBL6637300 | 0.74 | PDE7A (0.49) | PGRBACE1HDAC4HTR2A | |
| SCHEMBL6634723 | 0.73 | PGR (0.39) | PGRHDAC4 | |
| Hydrochloric Acid SCHEMBL6642284 | 0.73 | PDE7A (0.48) | PGRBACE1HDAC4HTR2A | |
| SCHEMBL6637532 | 0.71 | BACE1 (0.52) | PGRBACE1HTR2A | |
| Hydrochloric Acid SCHEMBL6639312 | 0.70 | BACE1 (0.51) | PGRBACE1HTR2A | |
| SCHEMBL6634287 | 0.70 | TNKS (0.37) | — | |
| SCHEMBL6637994 | 0.68 | PGR (0.40) | PGRHTR2ATGM2 | |
| SCHEMBL6634247 | 0.68 | PGR (0.40) | PGRHTR2ATGM2 | |
| SCHEMBL7495240 | 0.68 | BACE1 (0.35) | BACE1HTR2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040087800-A1 | Spirooxindole derivatives are analgesics for the treatment of chronic pain. | ASTRAZENECA AB | 2004-05-06 | — | — | US | claimed |
| EP-1202994-B1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2004-04-14 | — | — | EP | claimed |
| EP-1202994-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-05-08 | — | — | EP | claimed |
| WO-2001005790-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2001-01-25 | — | — | WO | claimed |
| US-6774132-B1 | Spirooxindole derivatives that act as analgesics | ASTRAZENECA AB (SE) | 2004-08-10 | — | — | US | disclosed |
| EP-1426375-A2 | Analgesic spiroindole derivatives | AstraZeneca AB (SE) | 2004-06-09 | — | — | EP | disclosed |
| US-20040087800-A1 | Spirooxindole derivatives are analgesics for the treatment of chronic pain. | ASTRAZENECA AB | 2004-05-06 | — | — | US | disclosed |
| EP-1202994-B1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2004-04-14 | — | — | EP | disclosed |
| EP-1202994-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001005790-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2001-01-25 | — | — | 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-20040087800-A1 | Spirooxindole derivatives are analgesics for the treatment of chronic pain. | OPRK1, OPRD1, OPRL1 | PGR 1652/4885BACE1 4822/4885HDAC4 1902/4885 |
“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.