Known targets — ChEMBL curated mechanism
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| 1-Pentanol SCHEMBL29967736 | 0.97 | SMN1; SMN2 (0.63) | SMN1; SMN2LMNATSHRALDH1A1MEN1 | |
| Lithium Ion SCHEMBL2106571 | 0.85 | — | — | |
| Lithium Ion SCHEMBL30497970 | 0.85 | — | — | |
| Butyl Alcohol SCHEMBL29968488 | 0.83 | ALDH1A1 (0.61) | SMN1; SMN2LMNATSHRALDH1A1MEN1 | |
| Lithium Ion SCHEMBL15135032 | 0.82 | TSHR (0.57) | LMNATSHRALDH1A1MEN1KMT2A | |
| Lithium Ion SCHEMBL6910441 | 0.82 | TSHR (0.57) | LMNATSHRALDH1A1MEN1KMT2A | |
| Lithium Ion SCHEMBL939261 | 0.82 | — | — | |
| Lithium Ion SCHEMBL938657 | 0.82 | — | — | |
| Lithium Ion SCHEMBL10406853 | 0.82 | TSHR (0.57) | LMNATSHRALDH1A1MEN1KMT2A | |
| Lithium Ion SCHEMBL30497988 | 0.82 | LMNA (0.42) | SMN1; SMN2LMNATSHRALDH1A1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2138545-B1 | USE OF PORPHYRAZINE DERIVATIVE AS SEMICONDUCTOR | UNIV HIROSHIMA (JP) | 2014-01-08 | — | — | EP | disclosed |
| EP-2664655-A1 | Novel synthesis for 5-alkyl-2,3-dihalogenthiophenes | Hiroshima University (JP) | 2013-11-20 | — | — | EP | disclosed |
| EP-2138545-A1 | NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, METHOD FOR PRODUCTION OF NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, AND USE OF PORPHYRAZINE DERIVATIVE | Hiroshima University (JP) | 2009-12-30 | — | — | EP | disclosed |