Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.86 |
| ▸ | HPGD | P15428 | 7/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 8/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 5/20 | 0.63 |
| ▸ | ACHE | P22303 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CASP1 | P29466 | 2/20 | 0.62 |
| ▸ | CASP7 | P55210 | 2/20 | 0.62 |
| ▸ | AHR | P35869 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL6513981 | 0.89 | KDM4E (0.70) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL6509538 | 0.84 | KDM4E (0.70) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL13728941 | 0.83 | KDM4E (0.62) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL3863778 | 0.80 | KDM4E (0.78) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL6511143 | 0.80 | KDM4E (0.78) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL6508977 | 0.80 | KDM4E (0.78) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL22416420 | 0.80 | KDM4E (0.57) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL29351521 | 0.78 | KDM4E (1.00) | KDM4EALDH1A1HPGDCYP1A2MAPT | |
| SCHEMBL14975993 | 0.78 | KDM4E (1.00) | KDM4EALDH1A1HPGDCYP1A2MAPT | |
| SCHEMBL5873086 | 0.78 | NCF1 (0.63) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005087742-A1 | METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES | EXELIXIS, INC. (US) | 2005-09-22 | — | — | WO | claimed |
| WO-2005087742-A1 | METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES | EXELIXIS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |