Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL6567890 | 0.84 | CFD (0.46) | ALDH1A1HMGCRHTR2AHSP90AB1KDM4E | |
| SCHEMBL28383778 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HMGCRHSP90AB1MAPTPOLB | |
| SCHEMBL22419890 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HMGCRKDM4EMEN1MAPT | |
| SCHEMBL6568009 | 0.76 | PTGDR2 (0.55) | ALDH1A1HTR2AMEN1MAPTKMT2A | |
| SCHEMBL27482498 | 0.75 | BRD4 (0.49) | ALDH1A1KDM4EMAPTPOLBCYP3A4 | |
| SCHEMBL6566640 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HTR2AALOX5KDM4EMAPT | |
| SCHEMBL6565669 | 0.75 | HTR2A (0.41) | ALDH1A1HMGCRHTR2AHSP90AB1KDM4E | |
| SCHEMBL8062923 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTGAAUSP2 | |
| SCHEMBL28365688 | 0.74 | MAPK1 (0.38) | ALDH1A1ALOX5CREBBPMAPTGAA | |
| SCHEMBL9041388 | 0.73 | MAPT (0.57) | ALDH1A1HMGCRHSP90AB1ALOX5KDM4E |
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-1437344-A1 | BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-07-14 | — | — | EP | disclosed |