Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL2167548 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL7543940 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL3962254 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL1483315 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL7046667 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL28714353 | 0.96 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Hexane SCHEMBL28679642 | 0.93 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL3631814 | 0.93 | — | — | |
| Butyl Alcohol SCHEMBL19808779 | 0.93 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL7212630 | 0.93 | ALDH1A1 (0.92) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 |
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-107064401-A | A kind of quick method for detecting ten kinds of pigments of illegal addition in beverage simultaneously | 中国人民解放军第二军医大学 | 2017-08-18 | — | — | CN | disclosed |
| US-8101408-B2 | Insecticidal extract from legume plants and method of preparing the same | HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF AGRICULTURE AND AGRI-FOOD (CA) | 2012-01-24 | — | — | US | disclosed |
| US-20100009912-A1 | INSECTICIDAL EXTRACT FROM LEGUME PLANTS AND METHOD OF PREPARING THE SAME | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTRY OF | 2010-01-14 | — | — | US | disclosed |
| US-20060216367-A1 | Insecticidal extract from legume plants and method of preparing the same | HER MAJESTY THE QUEEN IN RIGHT OF CANADA, THE MINISTER OF AGRICULTURE AND AGRI-FOOD (CA) | 2006-09-28 | — | — | US | disclosed |
| US-4251515-A | ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA | SUAMI T | 1981-02-17 | — | — | US | disclosed |