Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL774738 | 0.84 | ESR1 (0.42) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL1672648 | 0.79 | ALDH1A1 (0.43) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL13183725 | 0.77 | RAB9A (0.42) | HSD17B10ALDH1A1TDP1PARP1MAPK1 | |
| SCHEMBL21917644 | 0.73 | KDM4E (0.47) | ALDH1A1TDP1PARP1KDM4EMAPT | |
| SCHEMBL13183867 | 0.73 | TNKS (0.43) | PARP1 | |
| SCHEMBL10967133 | 0.72 | ALDH1A1 (0.30) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL30068451 | 0.70 | CYP11B1 (0.53) | HSD17B10ALDH1A1CYP2A6KDM4EMAPT | |
| SCHEMBL13183740 | 0.69 | NPC1 (0.41) | ALDH1A1CYP2A6TSHRMAPK1KDM4E | |
| SCHEMBL647671 | 0.68 | NISCH (0.40) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL16796324 | 0.68 | CYP3A4 (0.39) | ALDH1A1CYP2A6TDP1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111662334-A | Organometallic compound, organic light emitting device, and apparatus including organic light emitting device | 三星显示有限公司 | 2020-09-15 | — | — | CN | disclosed |