Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | ASIC1 | P78348 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CCR4 | P51679 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10032556 | 0.96 | KIF11 (0.57) | KIF11HSD17B1HSD17B2MAPTNPC1 | |
| SCHEMBL10032847 | 0.92 | KIF11 (0.56) | KIF11HSD17B1HSD17B2MAPTNPC1 | |
| SCHEMBL10032729 | 0.92 | KIF11 (0.56) | KIF11HSD17B1HSD17B2MAPTNPC1 | |
| SCHEMBL10032856 | 0.91 | KIF11 (0.68) | KIF11HSD17B1HSD17B2MAPTNPC1 | |
| SCHEMBL13016360 | 0.87 | HSD17B1 (0.50) | HSD17B1HSD17B2MAPTNPC1RAB9A | |
| SCHEMBL10032220 | 0.87 | KIF11 (0.66) | KIF11HSD17B1HSD17B2MAPTNPC1 | |
| SCHEMBL10032598 | 0.87 | KIF11 (0.66) | KIF11HSD17B1HSD17B2MAPTNPC1 | |
| SCHEMBL10030068 | 0.85 | KIF11 (0.62) | KIF11MAPTNPC1LMNATP53 | |
| SCHEMBL13015645 | 0.84 | CYP17A1 (0.51) | HSD17B1HSD17B2CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL13016040 | 0.84 | NOTUM (0.52) | HSD17B1HSD17B2MAPTNPC1HPGD |
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-2012060374-A1 | ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-10 | — | — | WO | disclosed |