Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL27528352 | 0.90 | — | — | |
| Isopropyl Alcohol SCHEMBL28323543 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNASPHK1TSHRTRPV1 | |
| Isopropyl Alcohol SCHEMBL28136057 | 0.87 | ALDH1A1 (0.43) | ALDH1A1LMNASPHK1TSHRTRPV1 | |
| Propylamine SCHEMBL81387 | 0.83 | — | — | |
| Propylamine SCHEMBL11504057 | 0.83 | DNM1 (0.41) | ALDH1A1TSHRDNM1MEN1KMT2A | |
| Propylamine SCHEMBL1252206 | 0.83 | DNM1 (0.41) | ALDH1A1TSHRDNM1MEN1KMT2A | |
| Propylamine SCHEMBL25243549 | 0.79 | — | — | |
| Propylamine SCHEMBL25238638 | 0.79 | — | — | |
| Propylamine SCHEMBL25243859 | 0.79 | DNM1 (0.44) | ALDH1A1LMNATSHRDNM1MEN1 | |
| Propylamine SCHEMBL28260277 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110317311-A | The hard polyurethane foams of low smell | 科思创德国股份有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-108659187-A | One kind is based on carbon dioxide regulation and control parent/hydrophobic polyurethane and preparation method thereof | 合肥工业大学 | 2018-10-16 | — | — | CN | disclosed |