Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CDC25B | P30305 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NGLY1 | Q96IV0 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | RECQL | P46063 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL31243247 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL11848196 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL31303820 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL31416549 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL31321396 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL24553526 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL31321400 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL6536800 | 0.78 | ALDH1A1 (0.63) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL3720285 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 | |
| SCHEMBL29589589 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDCYP3A4ALOX15 |
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-105658620-A | Compound, material for organic electroluminescent element, and electronic device | 出光兴产株式会社 | 2016-06-08 | — | — | CN | disclosed |