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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.53 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.53 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.53 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.53 |
| ▸ | F12 | P00748 | 9/20 | 0.53 |
| ▸ | F2 | P00734 | 6/20 | 0.53 |
| ▸ | F10 | P00742 | 5/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.53 |
| ▸ | PLG | P00747 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | C1R | P00736 | 2/20 | 0.53 |
| ▸ | KLK1 | P06870 | 2/20 | 0.53 |
| ▸ | HGFAC | Q04756 | 2/20 | 0.53 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.53 |
| ▸ | MLNR | O43193 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10918389 | 0.97 | PLAU (0.54) | PLAUF12F2F10PRSS1 | |
| Bicarbonate SCHEMBL7341573 | 0.97 | PLAU (0.54) | PLAUF12F2F10PRSS1 | |
| SCHEMBL7341983 | 0.96 | F12 (0.56) | PLAUF12F2F10PRSS1 | |
| SCHEMBL10918392 | 0.88 | PLAU (0.49) | PLAUF12F2F10PRSS1 | |
| SCHEMBL7348791 | 0.84 | F12 (0.64) | PLAUF12F2F10PRSS1 | |
| SCHEMBL7337750 | 0.81 | F12 (0.71) | PLAUF12F2F10PRSS1 | |
| SCHEMBL7342919 | 0.81 | KMT2A (0.64) | PLAUF12F2F10PRSS1 | |
| SCHEMBL7347942 | 0.79 | FTO (0.70) | PLAUF12F2F10PRSS1 | |
| SCHEMBL10922456 | 0.77 | FTO (0.74) | PLAUF12F2F10PRSS1 | |
| SCHEMBL31380450 | 0.77 | F12 (0.76) | PLAUF12F2F10PRSS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0048433-B1 | NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM | TORII & CO., LTD. (JP) | 1986-05-28 | — | — | EP | disclosed |
| US-4532255-A | Amidine compounds and anticomplement agent comprising same | TORII & CO., LTD. (JP) | 1985-07-30 | — | — | US | disclosed |
| US-4454338-A | 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE | TORII & CO., LTD. (JP) | 1984-06-12 | — | — | US | disclosed |
| EP-0048433-A2 | Novel amidine compounds, process for producing same and anti-complement agent comprising them | TORII & CO., LTD. (JP) | 1982-03-31 | — | — | EP | disclosed |