Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | P4HB | P07237 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DOT1L | Q8TEK3 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6248700 | 0.84 | KMT2A (0.36) | TSHRHSD17B10ALDH1A1P4HBKMT2A | |
| SCHEMBL6292971 | 0.77 | KDM4E (0.43) | HSD17B10ALDH1A1CYP1A2KMT2A | |
| SCHEMBL5144541 | 0.76 | BRAF (0.49) | BRAFCYP3A4TSHRHSD17B10ALDH1A1 | |
| SCHEMBL5144544 | 0.76 | BRAF (0.49) | BRAFCYP3A4TSHRHSD17B10ALDH1A1 | |
| SCHEMBL6246748 | 0.76 | GRK2 (0.40) | BRAFCYP3A4ALDH1A1CYP1A2P4HB | |
| SCHEMBL6247880 | 0.75 | RECQL (0.43) | ALDH1A1P4HBKMT2AMEN1 | |
| SCHEMBL6246114 | 0.73 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1POLBNPSR1 | |
| SCHEMBL6246207 | 0.73 | LMNA (0.34) | ALDH1A1CNR2KMT2AMEN1 | |
| SCHEMBL6246353 | 0.72 | RORC (0.40) | CYP3A4 | |
| SCHEMBL6248753 | 0.72 | EPHX1 (0.37) | ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005037196-A2 | SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | CYTOVIA, INC. (US) | 2005-04-28 | — | — | WO | disclosed |