Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 5/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL507980 | 0.90 | — | — | |
| SCHEMBL4093831 | 0.90 | — | — | |
| SCHEMBL19267359 | 0.90 | — | — | |
| Bromide SCHEMBL6767363 | 0.88 | — | — | |
| SCHEMBL2039865 | 0.74 | ALDH1A1 (0.38) | ALDH1A1LMNAKDM4EADAM17CTSA | |
| SCHEMBL2033997 | 0.74 | ADAM17 (0.39) | ALDH1A1LMNAKDM4EADAM17CTSA | |
| SCHEMBL16406105 | 0.74 | ADAM17 (0.39) | ALDH1A1LMNAKDM4EADAM17CTSA | |
| Methyl Alcohol SCHEMBL27817336 | 0.73 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4ECTSAMAPKAPK2 | |
| SCHEMBL4768669 | 0.72 | ALDH1A1 (0.42) | ALDH1A1LMNAKDM4EADAM17CTSA | |
| SCHEMBL557653 | 0.72 | — | — |
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-1126994-A | Novel (1-heteroazolyl-1-heterocyclyl) alkane derivatives and their use as neuroprotective agents | ASTRA AB (SE) | 1996-07-17 | — | — | CN | claimed |
| CN-1126994-A | Novel (1-heteroazolyl-1-heterocyclyl) alkane derivatives and their use as neuroprotective agents | ASTRA AB (SE) | 1996-07-17 | — | — | CN | disclosed |