Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL305477 | 0.89 | FGFR1 (0.47) | CYP1A2CYP17A1TDP1ALDH1A1ADORA3 | |
| SCHEMBL15797000 | 0.80 | ALDH1A1 (0.45) | CYP1A2TDP1ALDH1A1ADORA3FGFR1 | |
| SCHEMBL19031818 | 0.78 | MAPT (0.40) | CYP1A2CYP17A1TDP1ALDH1A1ADORA3 | |
| SCHEMBL19031807 | 0.78 | ALDH1A1 (0.42) | CYP1A2CYP17A1TDP1ALDH1A1ADORA3 | |
| SCHEMBL4106108 | 0.77 | ALDH1A1 (0.54) | CYP1A2CYP17A1TDP1ALDH1A1MAPT | |
| SCHEMBL17861293 | 0.77 | KDM4E (0.46) | TDP1ALDH1A1ADORA3FGFR1ADORA2A | |
| SCHEMBL30716966 | 0.76 | CYP1A2 (0.61) | CYP1A2CYP17A1ALDH1A1CYP2C19HPGD | |
| SCHEMBL15797001 | 0.75 | KHK (0.51) | CYP1A2TDP1ALDH1A1ADORA3FGFR1 | |
| SCHEMBL15797007 | 0.75 | NR3C1 (0.52) | CYP1A2TDP1ALDH1A1ADORA3ADORA2A | |
| SCHEMBL15568528 | 0.75 | TDP1 (0.46) | TDP1ALDH1A1ADORA3FGFR1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014092351-A1 | NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 (KR) | 2014-06-19 | — | — | WO | disclosed |
| WO-2014092351-A1 | NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 (KR) | 2014-06-19 | — | — | WO | disclosed |