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 | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 2/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.49 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | PRKACA | P17612 | 2/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | AKT1 | P31749 | 2/20 | 0.49 |
| ▸ | GSK3A | P49840 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | PRKX | P51817 | 2/20 | 0.49 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28609082 | 0.85 | MAPT (0.65) | NOTUMMAPTLMNASMN1; SMN2KMT2A | |
| Acetone SCHEMBL27959679 | 0.85 | MAPT (0.65) | NOTUMMAPTLMNASMN1; SMN2KMT2A | |
| SCHEMBL124353 | 0.84 | NOTUM (1.00) | NOTUMMAPTLMNASMN1; SMN2KMT2A | |
| Biphenyl SCHEMBL538359 | 0.84 | SMN1; SMN2 (0.67) | MAPTLMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL1312790 | 0.84 | NOTUM (1.00) | NOTUMMAPTLMNASMN1; SMN2KMT2A | |
| Biphenyl SCHEMBL15332958 | 0.84 | SMN1; SMN2 (0.67) | MAPTLMNASMN1; SMN2NPC1RAB9A | |
| Biphenyl SCHEMBL29059196 | 0.84 | SMN1; SMN2 (0.67) | MAPTLMNASMN1; SMN2NPC1RAB9A | |
| Benzoic Acid SCHEMBL29139198 | 0.82 | NAPRT (0.67) | NOTUMSMN1; SMN2KMT2AMEN1POLB | |
| Bromide SCHEMBL10968966 | 0.82 | NOTUM (0.94) | NOTUMMAPTLMNASMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL3862741 | 0.82 | NOTUM (0.94) | NOTUMMAPTLMNASMN1; SMN2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110590647-B | Water-stable antimony-iodine-based hybrid perovskite and synthesis and application thereof | 济南大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-110590647-A | Water-stable antimony-iodine-based hybrid perovskite and synthesis and application thereof | 济南大学 | 2019-12-20 | — | — | CN | disclosed |