Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1-Pentanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 1-Pentanol SCHEMBL16036491 | 0.97 | SMN1; SMN2 (0.80) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| Butyl Alcohol SCHEMBL16344507 | 0.94 | ALDH1A1 (0.79) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| Butyl Alcohol SCHEMBL8022142 | 0.94 | ALDH1A1 (0.79) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| Butyl Alcohol SCHEMBL1740753 | 0.94 | ALDH1A1 (0.79) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| 1-Hexanol SCHEMBL825360 | 0.90 | ALDH1A1 (0.87) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| Octanol SCHEMBL15974897 | 0.90 | ALDH1A1 (0.87) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| 1-Hexanol SCHEMBL20357990 | 0.90 | ALDH1A1 (0.87) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| 1-Hexanol SCHEMBL27300891 | 0.90 | LMNA (0.87) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A | |
| 1-Pentanol SCHEMBL724430 | 0.90 | — | — | |
| 1-Pentanol SCHEMBL2954573 | 0.90 | SMN1; SMN2 (0.92) | SMN1; SMN2ALDH1A1TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9683178-B2 | Process for reducing acidity of hydrocarbon feeds | SUNCOR ENERGY INC. (CA) | 2017-06-20 | — | — | US | disclosed |
| US-20120152807-A1 | PROCESS AND SYSTEM FOR REDUCING ACIDITY OF HYDROCARBON FEEDS | SUNCOR ENERGY INC. (CA) | 2012-06-21 | — | — | US | disclosed |