Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | C1S | P09871 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30268524 | 0.90 | — | — | |
| SCHEMBL79244 | 0.90 | — | — | |
| SCHEMBL9574884 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL6118165 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL27406621 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MAPK1APPMEN1CYP1A2 | |
| Cyanide SCHEMBL27957952 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPK1TDP1MEN1NPC1 | |
| Iodobenzene SCHEMBL22799141 | 0.79 | ALDH1A1 (0.56) | ALDH1A1MAPK1APPTDP1MAOB | |
| SCHEMBL22384032 | 0.79 | ALDH1A1 (0.62) | ALDH1A1MAPK1APPTDP1MAOB | |
| SCHEMBL8068361 | 0.79 | CYP2A6 (0.61) | ALDH1A1MAPK1APPTDP1CYP2A6 | |
| SCHEMBL455656 | 0.79 | CYP2A6 (0.61) | ALDH1A1MAPK1APPTDP1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104640848-B | Anthracene derivative and organic electroluminescent element using same | 出光兴产株式会社 | 2018-01-26 | — | — | CN | disclosed |