Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 4/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.36 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25523640 | 0.92 | NISCH (0.39) | NISCHEGFRERBB2ERBB3KDR | |
| SCHEMBL22174543 | 0.92 | EGFR (0.36) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL23075243 | 0.88 | ESR1 (0.36) | NISCHEGFRERBB2ERBB3KDR | |
| SCHEMBL29315596 | 0.85 | ESR1 (0.36) | NISCHCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL29315630 | 0.84 | ESR1 (0.37) | NISCHCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL21667464 | 0.82 | NISCH (0.38) | NISCHCYP11B1CYP11B2CA12MAPK8 | |
| SCHEMBL27381444 | 0.81 | NISCH (0.38) | NISCHEGFRERBB2CYP11B1CYP11B2 | |
| SCHEMBL27382195 | 0.80 | NISCH (0.37) | NISCHEGFRERBB2CYP11B1CYP11B2 | |
| SCHEMBL27382116 | 0.80 | NISCH (0.37) | NISCHEGFRERBB2CYP11B1CYP11B2 | |
| SCHEMBL25544509 | 0.80 | NISCH (0.33) | NISCHEGFRERBB2ERBB3KDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3162797-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | Heesung Material Ltd. (KR) | 2017-05-03 | — | — | EP | disclosed |