Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8914155 | 0.81 | AR (0.37) | MLYCDTDP1KCNH2 | |
| SCHEMBL31146135 | 0.69 | THRB (0.35) | — | |
| SCHEMBL9031800 | 0.64 | RAD52 (0.40) | TDP1 | |
| SCHEMBL15971303 | 0.64 | KDM4E (0.40) | TDP1 | |
| SCHEMBL8915526 | 0.62 | GAA (0.40) | — | |
| SCHEMBL27758313 | 0.61 | MET (0.43) | TDP1 | |
| SCHEMBL8772047 | 0.61 | ICMT (0.32) | — | |
| SCHEMBL10433181 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL2746368 | 0.61 | PDE3B (0.42) | — | |
| SCHEMBL31146024 | 0.61 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5686492-A | NMR DIAGNOSTIC AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-11-11 | — | — | US | disclosed |