Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL18894333 | 0.84 | PTGS1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL20180183 | 0.74 | NPC1 (0.40) | CYP1A2NPC1MAPTRAB9APIK3CA | |
| SCHEMBL20180181 | 0.74 | NR3C1 (0.44) | PIK3CAMTORNR3C1 | |
| SCHEMBL20180230 | 0.72 | NR3C1 (0.59) | HPGDNR3C1 | |
| SCHEMBL20180412 | 0.71 | NR3C1 (0.61) | HPGDNR3C1 | |
| SCHEMBL20180304 | 0.70 | NR3C1 (0.47) | NPC1RAB9ANR3C1 | |
| SCHEMBL20180350 | 0.68 | NR3C1 (0.45) | NPC1RAB9ANR3C1 | |
| SCHEMBL15811191 | 0.68 | NR3C1 (0.39) | CYP1A2MAPTPIK3CAMTORL3MBTL1 | |
| SCHEMBL15811208 | 0.68 | NR3C1 (0.39) | CYP1A2MAPTPIK3CAMTORALDH1A1 | |
| SCHEMBL305477 | 0.68 | FGFR1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19NPC1 |
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-2017090901-A1 | ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | 주식회사 두산 | 2017-06-01 | — | — | WO | disclosed |