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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.60 |
| ▸ | RAB9A | P51151 | 9/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23069 | 0.89 | NPC1 (0.56) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL3930292 | 0.77 | NPC1 (0.72) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| Benzo[D]Thiazole SCHEMBL10587301 | 0.77 | ALDH1A1 (0.73) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL5178195 | 0.74 | NPC1 (0.46) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL10347638 | 0.74 | NPC1 (0.96) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL927314 | 0.74 | ALDH1A1 (0.50) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL29720591 | 0.74 | ALDH1A1 (0.50) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL2098094 | 0.73 | NPC1 (0.53) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL30675320 | 0.73 | NPC1 (0.53) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL3310695 | 0.73 | L3MBTL1 (0.42) | NPC1RAB9AKDM4EHKDC1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8957215-B2 | Heteroaryl substituted benzothiazoles | NAVIDEA BIOPHARMACEUTICALS, INC. (US) | 2015-02-17 | — | — | US | disclosed |
| US-20120207679-A1 | Novel Heteroaryl Substituted Benzothiazoles | ASTRAZENECA AB (SE) | 2012-08-16 | — | — | US | disclosed |
| US-8163928-B2 | Heteroaryl substituted benzothiazoles | ASTRAZENECA AB (SE) | 2012-04-24 | — | — | US | disclosed |
| US-20090028787-A1 | Novel Heteroaryl Substituted Benzothiazoles | NAVIDEA BIOPHARMACEUTICALS, INC. | 2009-01-29 | — | — | US | 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 (2 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-20090028787-A1 | Novel Heteroaryl Substituted Benzothiazoles | APP, MAPT, PSEN1 | NPC1 94/4885RAB9A 2522/4885KDM4E 2091/4885 |
| US-20120207679-A1 | Novel Heteroaryl Substituted Benzothiazoles | MAPT, APP, PSEN1 | NPC1 156/4885RAB9A 3260/4885KDM4E 2768/4885 |
“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.