Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | S100A4 | P26447 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13297919 | 0.83 | TYMS (0.47) | ALDH1A1S100A4MAOAPTPRCTYMS | |
| SCHEMBL3855976 | 0.79 | CASP6 (0.54) | ALDH1A1TDP1MAOATSHRMAPT | |
| SCHEMBL11649927 | 0.76 | TYMS (0.46) | ALDH1A1S100A4PTPRCTYMSMAPT | |
| SCHEMBL8653951 | 0.74 | S100A4 (0.52) | ALDH1A1S100A4TDP1TSHRPTPRC | |
| SCHEMBL8550500 | 0.74 | ALDH1A1 (0.47) | ALDH1A1S100A4TDP1TSHRPTPRC | |
| SCHEMBL9079255 | 0.73 | TYMS (0.47) | ALDH1A1S100A4TDP1TSHRTYMS | |
| SCHEMBL29626558 | 0.72 | ALDH1A1 (0.61) | ALDH1A1S100A4TDP1MAOATSHR | |
| SCHEMBL187697 | 0.72 | ALDH1A1 (0.61) | ALDH1A1S100A4TDP1MAOATSHR | |
| SCHEMBL3858202 | 0.72 | ALDH1A1 (0.49) | ALDH1A1TDP1MAOATSHRGPR35 | |
| SCHEMBL1826053 | 0.70 | TDP1 (0.62) | ALDH1A1TDP1TSHRPDE10AGPR35 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1499595-A1 | AMONAFIDE SALTS | Xanthus Life Sciences, Inc. (CA) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089415-A1 | AMONAFIDE SALTS | XANTHUS LIFE SCIENCES, INC. (CA) | 2003-10-30 | — | — | WO | disclosed |