Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20466428 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL20466443 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL20466432 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL19598826 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL20466406 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL23471750 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL20466453 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL23154502 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL24372489 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 | |
| SCHEMBL20466440 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230210002-A1 | COMPOSITION, AND ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO.,LTD. (JP) | 2023-06-29 | — | — | US | disclosed |