Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3278733 | 0.83 | ESR1 (0.62) | ESR1ESR2ALDH1A1HSD17B10HPGD | |
| SCHEMBL9775858 | 0.80 | HSD17B10 (0.58) | ESR1ESR2ALDH1A1HSD17B10HPGD | |
| SCHEMBL21310428 | 0.80 | HSD17B10 (0.58) | ESR1ESR2ALDH1A1HSD17B10HPGD | |
| SCHEMBL7624177 | 0.77 | ESR1 (0.52) | ESR1ESR2ALDH1A1HSD17B10HPGD | |
| SCHEMBL28338869 | 0.73 | ESR1 (0.52) | ESR1ESR2ALDH1A1HSD17B10HPGD | |
| SCHEMBL26567857 | 0.72 | TDP1 (0.48) | ESR1ESR2HSD17B10MAPK1NPSR1 | |
| SCHEMBL3864662 | 0.68 | ESR1 (1.00) | ESR1ESR2ALDH1A1HPGDKDM4E | |
| SCHEMBL29799621 | 0.68 | ESR1 (1.00) | ESR1ESR2ALDH1A1HPGDKDM4E | |
| SCHEMBL22403888 | 0.68 | ESR1 (0.63) | ESR1ESR2ALDH1A1HSD17B10HPGD | |
| SCHEMBL28825756 | 0.68 | ESR1 (0.52) | ESR1ESR2ALDH1A1HSD17B10HPGD |
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-113195485-A | Tripyrrolopyrrole amine derivative and organic electroluminescent device comprising the same | 株式会社乐普拓 | 2021-07-30 | — | — | CN | disclosed |