Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL295299 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| SCHEMBL13705009 | 0.78 | ALDH1A1 (0.34) | ALDH1A1HSD17B10TSHRHPGDKDM4E | |
| SCHEMBL4083639 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| Hydrochloric Acid SCHEMBL10628964 | 0.72 | CYP2A6 (0.59) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| SCHEMBL29410299 | 0.70 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| SCHEMBL29843346 | 0.70 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| SCHEMBL4074691 | 0.70 | CYP2A6 (0.61) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| SCHEMBL4087507 | 0.70 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4TSHRHPGD | |
| SCHEMBL13704976 | 0.70 | PTPN1 (0.46) | ALDH1A1HSD17B10CYP3A4CYP1A2CYP2A6 | |
| SCHEMBL29487594 | 0.69 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP3A4TSHRHPGD |
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-112851530-A | Hole transport material and organic electroluminescent device containing same | 南京高光半导体材料有限公司 | 2021-05-28 | — | — | CN | disclosed |