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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.80 |
| ▸ | HTR1D | P28221 | 7/20 | 0.56 |
| ▸ | HTR1B | P28222 | 7/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8983347 | 0.97 | HTR1A (0.81) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL6364891 | 0.97 | HTR1A (0.81) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL6765275 | 0.97 | HTR1A (0.81) | HTR1AHTR1DHTR1BDRD2 | |
| Oxalic Acid SCHEMBL7515265 | 0.96 | HTR1A (0.77) | HTR1AHTR1DHTR1BDRD2 | |
| Bromide SCHEMBL7511914 | 0.96 | HTR1A (0.80) | HTR1AHTR1DHTR1BDRD2 | |
| Succinic Acid SCHEMBL7518514 | 0.94 | HTR1A (0.74) | HTR1AHTR1DHTR1BDRD2 | |
| Fumaric Acid SCHEMBL7513544 | 0.93 | HTR1A (0.72) | HTR1AHTR1DHTR1BDRD2 | |
| Maleic Acid SCHEMBL7513537 | 0.93 | HTR1A (0.72) | HTR1AHTR1DHTR1BDRD2 | |
| Sulfuric Acid SCHEMBL10347223 | 0.93 | HTR1A (0.75) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL7514239 | 0.93 | HTR1A (0.74) | HTR1AHTR1DHTR1BDRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1166783-A2 | Tetrahydrobenz[CD]indole-6-carboxamides for treating sexual dysfunction | ELI LILLY AND COMPANY (US) | 2002-01-02 | — | — | EP | disclosed |
| EP-0633023-A2 | Preventing emesis and treating sexual dysfunction using tetrahydrobenz CD indole-6-carboxamides | ELI LILLY AND COMPANY (US) | 1995-01-11 | — | — | EP | disclosed |
| US-4745126-A | Method of treating anxiety with tetrahydrobenz[c,d]indole-6-carboxamides | ELI LILLY AND COMPANY (US) | 1988-05-17 | — | — | US | disclosed |