Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28161889 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNARAB9ATSHROPRM1 | |
| SCHEMBL79108 | 0.79 | — | — | |
| Tetrahydrofuran SCHEMBL28535994 | 0.78 | ALDH1A1 (0.40) | ALDH1A1LMNARAB9ATSHRSMN1; SMN2 | |
| Dioxane SCHEMBL3458161 | 0.76 | ALDH1A1 (0.44) | ALDH1A1LMNARAB9ATSHROPRM1 | |
| SCHEMBL812374 | 0.73 | — | — | |
| M-Xylene SCHEMBL20507015 | 0.71 | ACHE (0.57) | ALDH1A1RAB9ATSHRHPGD | |
| P-Xylene SCHEMBL21806075 | 0.71 | ACHE (0.50) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL213952 | 0.71 | ALDH1A1 (0.40) | ALDH1A1LMNATSHROPRM1HPGD | |
| Tetrahydrofuran SCHEMBL5596603 | 0.70 | ALDH1A1 (0.36) | ALDH1A1RAB9ASMN1; SMN2 | |
| P-Xylene SCHEMBL1332978 | 0.69 | ALDH1A1 (0.47) | ALDH1A1LMNARAB9ASMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103739529-A | Synthetic method of phenyl or substituted phenyl terminated long chain fatty thiol | SHANXI XINTIANYUAN PHARM & CHEM CO LTD | 2014-04-23 | — | — | CN | disclosed |