Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 5/20 | 0.39 |
| ▸ | IDH2 | P48735 | 4/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.39 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2334760 | 0.77 | NPSR1 (0.42) | KDM4EALDH1A1NPC1RAB9APTGS2 | |
| SCHEMBL18212 | 0.76 | P2RX7 (0.37) | IDH1IDH2KDM4EKCNT1NPC1 | |
| SCHEMBL17877 | 0.70 | KMO (0.39) | IDH1IDH2MALT1HTTCYP17A1 | |
| SCHEMBL18484 | 0.70 | CA2 (0.38) | KDM4EALDH1A1HPGDCMA1KCNT1 | |
| SCHEMBL9771829 | 0.69 | NPC1 (0.44) | BRD4HTTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL18574 | 0.68 | ALDH1A1 (0.41) | ALDH1A1CYP1A2POLBCYP2C19CMA1 | |
| SCHEMBL21573260 | 0.67 | IDH1 (0.56) | IDH1IDH2BRD4BRD2BRD3 | |
| SCHEMBL2632680 | 0.65 | MALT1 (0.46) | IDH1IDH2MALT1 | |
| SCHEMBL24660832 | 0.65 | IDH1 (0.50) | IDH1IDH2MALT1HTTAAK1 | |
| SCHEMBL22637345 | 0.64 | KCNT1 (0.52) | IDH1IDH2KCNT1 |
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-2012025460-A1 | OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL | BAYER CROPSCIENCE AG (DE) | 2012-03-01 | — | — | WO | disclosed |