Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.45 |
| ▸ | ESR1 | P03372 | 5/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23633511 | 0.95 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL17655851 | 0.95 | HSD17B1 (0.47) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL18965445 | 0.94 | MEN1 (0.50) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL18965464 | 0.94 | MEN1 (0.50) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL25680783 | 0.94 | ALDH1A1 (0.44) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL24377056 | 0.94 | HSD17B1 (0.48) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL24377091 | 0.94 | HSD17B1 (0.45) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL18965493 | 0.94 | HSD17B1 (0.49) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL21667499 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1KMT2ATP53 | |
| SCHEMBL17655824 | 0.92 | HSD17B1 (0.47) | ALDH1A1KDM4EMEN1KMT2ATP53 |
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-2017099430-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-15 | — | — | WO | disclosed |