Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 6/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL31290244 | 0.69 | MALT1 (0.71) | MALT1CES1PTPN1CES2MAOA | |
| SCHEMBL31290142 | 0.67 | MALT1 (0.44) | MALT1CES1PTPN1ALDH1A1ALOX15 | |
| SCHEMBL31290264 | 0.67 | MALT1 (0.44) | MALT1CES1PTPN1MAOAMAOB | |
| SCHEMBL27466421 | 0.67 | — | — | |
| SCHEMBL3624714 | 0.60 | ALDH1A1 (0.50) | CES1MAOAMAOBALDH1A1ALOX15 | |
| P-Xyloquinone SCHEMBL49964 | 0.52 | PLK1 (0.60) | CES1MAOAMAOBALDH1A1ALOX15 | |
| SCHEMBL65261 | 0.47 | ALDH1A1 (1.00) | ALDH1A1ALOX15TSHRHSD17B10 | |
| SCHEMBL22129126 | 0.46 | — | — | |
| SCHEMBL1978397 | 0.43 | — | — | |
| SCHEMBL27401854 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5502214-A | OXIDATION OF CATECHOL WITH OXIDANT, NUCLEOPHILIC REAGENT AND METAL CATALYST | DANA FARBER CANCER INSTITUTE (US) | 1996-03-26 | — | — | US | disclosed |
| WO-1995003267-A1 | 1,2-BENZOQUINONES | DANA-FARBER CANCER INSTITUTE (US) | 1995-02-02 | — | — | WO | disclosed |