Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22080811 | 0.97 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080426 | 0.97 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080412 | 0.96 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080700 | 0.96 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080799 | 0.93 | ALDH1A1 (0.46) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080713 | 0.92 | TP53 (0.46) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080984 | 0.91 | CYP19A1 (0.47) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080780 | 0.91 | CYP11B1 (0.45) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080986 | 0.90 | SMN1; SMN2 (0.42) | CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1 | |
| SCHEMBL22080721 | 0.88 | SMN1; SMN2 (0.47) | ALDH1A1TP53SMN1; SMN2MAPTKDM4E |
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-2020116875-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 두산솔루스 주식회사 | 2020-06-11 | — | — | WO | disclosed |