Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL10032784 | 0.92 | CCR1 (0.43) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD | |
| SCHEMBL10032752 | 0.91 | CYP3A4 (0.40) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD | |
| SCHEMBL18174590 | 0.91 | CTRC (0.41) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD | |
| SCHEMBL15977779 | 0.89 | CTRC (0.40) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD | |
| SCHEMBL10032679 | 0.89 | CYP3A4 (0.43) | CYP3A4ALDH1A1HPGDCCR1CCR5 | |
| SCHEMBL10032924 | 0.88 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDCCR1CCR5 | |
| SCHEMBL10032507 | 0.88 | CYP3A4 (0.42) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD | |
| SCHEMBL10032185 | 0.87 | CYP11B2 (0.42) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD | |
| SCHEMBL10032654 | 0.86 | CCR1 (0.43) | CYP3A4ALDH1A1HPGDCCR1CCR5 | |
| SCHEMBL15977410 | 0.86 | CTRC (0.42) | CYP1A2CYP3A4ALDH1A1CYP2C9HPGD |
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-2018093231-A1 | ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME | 주식회사 두산 | 2018-05-24 | — | — | WO | disclosed |