Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 4/20 | 0.31 |
| ▸ | HRH1 | P35367 | 3/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL18544936 | 0.69 | CYP2D6 (0.32) | CYP3A4CYP2D6 | |
| SCHEMBL18544844 | 0.69 | — | — | |
| SCHEMBL18814583 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL18814579 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL19452811 | 0.67 | CYP2A6 (0.37) | CYP2A6HTR2CCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21970994 | 0.66 | GAA (0.32) | TP53TSHR | |
| SCHEMBL12193903 | 0.65 | MAOA (0.41) | TP53NPC1RAB9AMAOA | |
| SCHEMBL30986852 | 0.65 | MAOA (0.41) | TP53NPC1RAB9AMAOA | |
| SCHEMBL18544961 | 0.64 | CYP2A6 (0.34) | CYP2A6CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3746575 | 0.62 | HSD17B10 (0.40) | MEN1KMT2AITGB2ICAM1ITGAL |
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-3440155-B1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) | 2021-02-24 | — | — | EP | disclosed |