Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | UTRN | P46939 | 2/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18200499 | 0.91 | DHODH (0.37) | TOP1CYP2C9DHODHADORA2AADORA1 | |
| SCHEMBL20249899 | 0.85 | NUDT1 (0.39) | TOP1DHODHADORA2AALDH1A1MAPT | |
| SCHEMBL20967918 | 0.85 | TOP1 (0.47) | TOP1ADORA2AMAPTMAPK10 | |
| SCHEMBL18346944 | 0.84 | TOP1 (0.44) | TOP1CYP2C9DHODHADORA2AADORA1 | |
| SCHEMBL18346943 | 0.82 | SRC (0.36) | CYP2C9DHODHADORA2AADORA1HTR2B | |
| SCHEMBL18200991 | 0.82 | DHODH (0.36) | TOP1CYP2C9DHODHADORA2AADORA1 | |
| SCHEMBL18346942 | 0.82 | DHODH (0.36) | CYP2C9DHODHADORA2AADORA1HTR2B | |
| SCHEMBL18200831 | 0.81 | MAPT (0.37) | DHODHADORA2AALDH1A1MAPTCYP1A1 | |
| SCHEMBL18346972 | 0.81 | TOP1 (0.36) | TOP1CYP2C9DHODHADORA2AADORA1 | |
| SCHEMBL18346971 | 0.81 | ADORA2A (0.36) | TOP1CYP2C9DHODHADORA2AADORA1 |
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-3088392-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | Heesung Material Ltd. (KR) | 2016-11-02 | — | — | EP | disclosed |