Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15404891 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL16797435 | 0.82 | TDP1 (0.45) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL30184604 | 0.82 | TDP1 (0.45) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL29399645 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL27557557 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL24755061 | 0.77 | MEN1 (0.46) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL33527983 | 0.77 | TDP1 (0.50) | ALDH1A1MAPTTDP1ATMCYP3A4 | |
| SCHEMBL26133898 | 0.77 | TDP1 (0.50) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL22983959 | 0.77 | GPR35 (0.50) | ALDH1A1MAPTTDP1ATMCYP2D6 | |
| SCHEMBL22032838 | 0.74 | TDP1 (0.47) | ALDH1A1MAPTTDP1ATMCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2397469-A1 | Diarylhydantoin compounds | The Regents Of the University of California (US) | 2011-12-21 | — | — | EP | disclosed |