Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1041430 | 0.92 | CYP1A2 (0.61) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL14233923 | 0.90 | CYP1A2 (0.59) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL13015667 | 0.87 | CYP11B2 (0.58) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL5551754 | 0.84 | ACHE (0.53) | KDM4EALDH1A1MAPTHPGDLMNA | |
| SCHEMBL27872144 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL10030011 | 0.84 | CYP1A2 (0.52) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL27862687 | 0.83 | CYP1A2 (0.60) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL12926845 | 0.83 | CYP11B2 (0.48) | CYP1A2CYP2A6CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL31347846 | 0.83 | CYP2A6 (0.45) | CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1 | |
| SCHEMBL22042806 | 0.83 | CYP2A6 (0.45) | CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1221434-B1 | HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |
| US-20050074631-A1 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2005-04-07 | — | — | US | disclosed |