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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.36 |
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 2/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 2/20 | 0.34 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL953367 | 0.94 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL3937498 | 0.94 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL8319401 | 0.94 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL953366 | 0.94 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| SCHEMBL66233 | 0.93 | SLC7A5 (0.50) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| SCHEMBL2541315 | 0.93 | SLC7A5 (0.50) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| SCHEMBL66234 | 0.93 | SLC7A5 (0.50) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| Water SCHEMBL27480998 | 0.91 | SLC7A5 (0.48) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL14152512 | 0.89 | SLC7A5 (0.47) | SLC7A5SLC1A3SLC1A2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL20243055 | 0.85 | NOS1 (0.38) | SLC7A5SLC1A3SLC1A2NOS1NOS3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107635989-A | Benzimidizole derivatives as bromine domain inhibitor | 葛兰素史克知识产权开发有限公司 | 2018-01-26 | — | — | CN | disclosed |