Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 2/20 | 0.33 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL45798 | 0.94 | MGLL (0.39) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL18786517 | 0.91 | PTGS1 (0.42) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1471336 | 0.88 | PTGS1 (0.39) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL18838747 | 0.77 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL4270037 | 0.74 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL4274617 | 0.74 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL4270831 | 0.74 | TSHR (0.47) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL7204901 | 0.70 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL665738 | 0.70 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL4272553 | 0.70 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117096428-A | Application of novel organic alkoxide agglomerate and solid electrolyte composition | 上海科技大学 | 2023-11-21 | — | — | CN | disclosed |
| CN-115703697-A | Novel organic alkoxide agglomerate and preparation method and application thereof | 上海科技大学 | 2023-02-17 | — | — | CN | disclosed |
| CN-115697956-A | Preparation method of quinone compound | 上海科技大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-113735696-B | Preparation method of quinone compound | 上海科技大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-113735696-A | Preparation method of quinone compound | 上海科技大学 | 2021-12-03 | — | — | CN | disclosed |