Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 9/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PNP | P00491 | 3/20 | 0.44 |
| ▸ | TK1 | P04183 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899765 | 0.78 | XDH (0.64) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL3310025 | 0.77 | XDH (0.76) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL21629986 | 0.77 | PNP (0.58) | MEN1KMT2APNPTK1BLM | |
| SCHEMBL1286945 | 0.71 | XDH (1.00) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL28095386 | 0.71 | XDH (0.57) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL986800 | 0.71 | XDH (0.60) | XDHMEN1KMT2APNPTK1 | |
| Hydrochloric Acid SCHEMBL21799342 | 0.70 | XDH (0.97) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL21417341 | 0.70 | XDH (0.53) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL41787 | 0.70 | XDH (0.59) | XDHMEN1KMT2APNPTK1 | |
| SCHEMBL15005119 | 0.70 | XDH (0.59) | XDHMEN1KMT2APNPTK1 |
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-1730298-B1 | SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) | 2015-11-11 | — | — | EP | disclosed |
| US-8163479-B2 | Specific substrates for O6-alkylguanine-DNA alkyltransferase | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) | 2012-04-24 | — | — | US | disclosed |