Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27667726 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL28437262 | 0.81 | CNR2 (0.48) | ALDH1A1KDM4ECNR1CNR2CYP2C9 | |
| SCHEMBL28017982 | 0.80 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Cetrimonium SCHEMBL7133687 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Ether SCHEMBL5623203 | 0.79 | ALDH1A1 (0.68) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Propane SCHEMBL27784883 | 0.78 | ALDH1A1 (0.81) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL18854654 | 0.78 | HTR1B (0.61) | ALDH1A1KDM4ECNR1CNR2CYP2C9 | |
| Water SCHEMBL9245240 | 0.78 | BCHE (0.47) | CNR1CNR2CYP2C9CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9517776 | 0.78 | BCHE (0.47) | ALDH1A1HPGDKDM4ECNR1CNR2 | |
| SCHEMBL27536112 | 0.78 | HTR1B (0.61) | ALDH1A1KDM4ECNR1CNR2CYP2C9 |
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-105348849-A | Azo type dye and dye liquid crystal composition | YANTAI XIANHUA CHEM TECH CO LTD | 2016-02-24 | — | — | CN | disclosed |