Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL3000731 | 0.91 | NOS2 (0.33) | ALDH1A1NOS2MAPT | |
| Alcohol SCHEMBL20987119 | 0.91 | — | — | |
| Butyl Alcohol SCHEMBL28856285 | 0.90 | ALDH1A1 (0.44) | ALDH1A1EPHX1HPGDTSHRSMN1; SMN2 | |
| 1-Pentanol SCHEMBL28201262 | 0.88 | SMN1; SMN2 (0.46) | ALDH1A1EPHX1HPGDTSHRSMN1; SMN2 | |
| 1-Hexanol SCHEMBL28200638 | 0.86 | ALDH1A1 (0.48) | ALDH1A1EPHX1MAPTTSHRSMN1; SMN2 | |
| Propane SCHEMBL29260697 | 0.85 | — | — | |
| Hexane SCHEMBL1664733 | 0.84 | EPHX1 (0.45) | ALDH1A1EPHX1HPGDTSHRSMN1; SMN2 | |
| Methyl Alcohol SCHEMBL2002219 | 0.83 | — | — | |
| Hydrogen Peroxide SCHEMBL11406484 | 0.83 | — | — | |
| SCHEMBL10067 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117777023-A | Preparation method and application of aminopyrazole compound | 山东特珐曼药业有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-107721788-A | The method that aromatisation produces aromatic hydrocarbon | 中国石油化工股份有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-105218553-A | A kind of synthetic method of pharmaceutical intermediate pyrrolo-indole compounds | LI NAIWEN | 2016-01-06 | — | — | CN | disclosed |
| CN-105130731-A | Method for preparing long-chain alkane from biomass derivativeS 5-HMF (hydroxymethyl furfural) or furaldehyde | HEFEI LEAF BIO TECH CO LTD | 2015-12-09 | — | — | CN | disclosed |