Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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-Hexanol SCHEMBL8760951 | 0.98 | LMNA (0.50) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL6493061 | 0.94 | ALDH1A1 (0.46) | SMN1; SMN2LMNAALDH1A1HSD17B10MEN1 | |
| Hexane SCHEMBL27775992 | 0.92 | HSD17B10 (0.42) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Heptane SCHEMBL28124413 | 0.90 | CES2 (0.41) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Octane SCHEMBL6906045 | 0.90 | CES2 (0.41) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Propanol SCHEMBL27677791 | 0.87 | LMNA (0.42) | LMNAALDH1A1HSD17B10KMT2ATSHR | |
| 1,3-Propanediol SCHEMBL22733724 | 0.87 | TDP1 (0.47) | LMNAHSD17B10MEN1KMT2ATDP1 | |
| Alcohol SCHEMBL6545350 | 0.83 | ALOX15 (0.42) | LMNAALDH1A1HSD17B10MEN1KMT2A | |
| Butane SCHEMBL27617980 | 0.83 | LMNA (0.45) | LMNAALDH1A1HSD17B10KMT2ATSHR | |
| Ethylene Glycol SCHEMBL28188461 | 0.83 | TDP1 (0.41) | LMNAHSD17B10MEN1KMT2ATSHR |
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-101941964-A | Has the Chemokine Receptors bonded heterogeneous ring compound that promotes effect | ANORMED INC | 2011-01-12 | — | — | CN | disclosed |
| CN-1777423-A | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | ANORMED INC (CA) | 2006-05-24 | — | — | CN | disclosed |