Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21805102 | 0.76 | — | — | |
| SCHEMBL4285047 | 0.76 | — | — | |
| SCHEMBL11709196 | 0.69 | — | — | |
| SCHEMBL15789500 | 0.68 | ALDH1A1 (0.31) | — | |
| Cyclohexane SCHEMBL15814543 | 0.68 | ALDH1A1 (0.35) | TSHR | |
| SCHEMBL1665187 | 0.68 | — | — | |
| SCHEMBL13354855 | 0.67 | ALDH1A1 (0.38) | LMNATP53TSHRHTTHBB | |
| SCHEMBL10025596 | 0.67 | ALDH1A1 (0.38) | LMNATP53TSHRHTTHBB | |
| SCHEMBL23781823 | 0.67 | — | — | |
| SCHEMBL27691985 | 0.67 | MAPT (0.39) | MAPTLMNATP53TSHRHTT |
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-101123962-A | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS INC (US) | 2008-02-13 | — | — | CN | disclosed |