Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 8/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
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 SCHEMBL8416584 | 0.93 | — | — | |
| Butyl Alcohol SCHEMBL8987802 | 0.90 | ALDH1A1 (0.58) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| 1-Pentanol SCHEMBL27825072 | 0.88 | SMN1; SMN2 (0.60) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL8578461 | 0.88 | ALDH1A1 (0.55) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Cetyl Alcohol SCHEMBL27804185 | 0.86 | ALDH1A1 (0.62) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28738332 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL10638187 | 0.82 | — | — | |
| Butyl Alcohol SCHEMBL29163696 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28781692 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28716580 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4356038-A | TERT-BUTANOL, NITROMETHANE, NITROPROPANE OR NITROETHANE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-10-26 | — | — | US | disclosed |