Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974986 | 0.95 | KDM4E (0.50) | HPGDSKDRCHEK2TGFBR1CYP2A6 | |
| SCHEMBL14297270 | 0.92 | HPGDS (0.51) | HPGDSKDRCHEK2TGFBR1CYP2A6 | |
| SCHEMBL9974915 | 0.92 | HPGDS (0.48) | HPGDSKDRCHEK2TGFBR1CYP2A6 | |
| SCHEMBL9974907 | 0.91 | LMNA (0.52) | KDRTGFBR1CYP2A6DHODHNPC1 | |
| SCHEMBL15856867 | 0.91 | CHEK2 (0.48) | HPGDSKDRCHEK2TGFBR1CYP2A6 | |
| SCHEMBL18015360 | 0.90 | HPGDS (0.49) | HPGDSKDRCHEK2TGFBR1CYP2A6 | |
| SCHEMBL9974919 | 0.89 | LMNA (0.50) | KDRTGFBR1CYP2A6DHODHNPC1 | |
| SCHEMBL12925656 | 0.89 | KDM4E (0.56) | HPGDSCHEK2TGFBR1CYP2A6NPC1 | |
| SCHEMBL14655877 | 0.89 | LDHA (0.55) | HPGDSLDHAHSD17B1HSD17B2 | |
| SCHEMBL21125929 | 0.89 | CHEK2 (0.49) | HPGDSKDRCHEK2TGFBR1CYP2A6 |
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-2012081541-A1 | 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |