Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634320 | 0.84 | ALDH1A1 (0.42) | RCE1ALDH1A1TDP1KDM4ECYP1A2 | |
| SCHEMBL29634277 | 0.84 | ALDH1A1 (0.42) | RCE1ALDH1A1TDP1KDM4ECYP1A2 | |
| SCHEMBL29634254 | 0.84 | ALDH1A1 (0.42) | RCE1ALDH1A1TDP1KDM4ECYP1A2 | |
| SCHEMBL28968158 | 0.80 | MAPT (0.40) | ALDH1A1TDP1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL28968153 | 0.80 | MAPT (0.40) | ALDH1A1TDP1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL31148969 | 0.79 | KCNH3 (0.41) | ALDH1A1KDM4EHPGDTSHRCYP3A4 | |
| SCHEMBL29216548 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL29216566 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL17546707 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL10084305 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4ECYP1A2CYP2C9 |
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-118702624-A | 2, 4-Diaryl-3-thioquinoline compound, sulfone oxide thereof and preparation method thereof | 铜陵学院 | 2024-09-27 | — | — | CN | disclosed |