Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974915 | 0.92 | HPGDS (0.48) | HPGDSCYP2A6KDRTGFBR1HSD17B1 | |
| SCHEMBL23809574 | 0.89 | HPGDS (0.53) | HPGDSCYP2A6KDRTGFBR1HSD17B1 | |
| SCHEMBL14297263 | 0.85 | KDM4E (0.51) | HPGDSCYP2A6KDRTGFBR1HSD17B1 | |
| SCHEMBL9974957 | 0.85 | KDM4E (0.52) | CYP2A6TGFBR1KDM4ELMNAALDH1A1 | |
| SCHEMBL9974930 | 0.84 | RAB9A (0.48) | HPGDSCYP2A6KDRTGFBR1KDM4E | |
| SCHEMBL9974904 | 0.84 | HPGDS (0.51) | HPGDSCYP2A6KDRTGFBR1HSD17B1 | |
| SCHEMBL16820289 | 0.84 | HPGDS (0.54) | HPGDSCYP2A6KDRTGFBR1KDM4E | |
| SCHEMBL15856872 | 0.84 | HPGDS (0.46) | HPGDSCYP2A6KDRTGFBR1HSD17B1 | |
| SCHEMBL9974918 | 0.84 | KDM4E (0.50) | CYP2A6KDRTGFBR1KDM4ELMNA | |
| SCHEMBL14680917 | 0.83 | HSD17B1 (0.48) | HPGDSHSD17B1HSD17B2RAB9ASMN1; SMN2 |
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 |