Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | USP1 | O94782 | 1/20 | 0.37 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23555400 | 0.88 | ENPP1 (0.51) | PDK2ENPP3ENPP1MAPK10JUN | |
| SCHEMBL18174772 | 0.86 | PDK2 (0.42) | PDK2MAPK10JUNRAB9ANPC1 | |
| SCHEMBL17532877 | 0.86 | NPC1 (0.44) | PDK2RAB9ANPC1PKMUSP1 | |
| SCHEMBL9429745 | 0.84 | ENPP3 (0.50) | DHFRPDK2ENPP3ENPP1MAPK10 | |
| SCHEMBL17532886 | 0.83 | CYP11B1 (0.40) | PDK2MAPK10JUNRAB9ANPC1 | |
| SCHEMBL16814673 | 0.82 | CA12 (0.49) | DHFRENPP3ENPP1RAB9ACA12 | |
| SCHEMBL29751906 | 0.82 | CA12 (0.49) | DHFRENPP3ENPP1RAB9ACA12 | |
| SCHEMBL9612932 | 0.81 | ALDH1A1 (0.55) | RAB9ANPC1KDM4EMAPTALDH1A1 | |
| SCHEMBL10032758 | 0.81 | CYP11B1 (0.45) | DHFRRAB9ANPC1PKMKDM4E | |
| SCHEMBL16189031 | 0.80 | PSD (0.39) | PDK2RAB9ANPC1PKM |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |