Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.40 |
| ▸ | USP2 | O75604 | 8/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2607308 | 0.84 | ALDH1A1 (0.43) | CYP1A2CYP2C9CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL28930104 | 0.75 | PI4KA (0.42) | PI4KAPI4K2BPI4K2API4KBKDM4E | |
| SCHEMBL28929664 | 0.73 | PI4KA (0.43) | CYP1A2CYP2C9ALDH1A1CYP2C19KMT2A | |
| SCHEMBL29240138 | 0.72 | PI4KA (0.57) | CYP1A2CYP2C9CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL13998688 | 0.68 | ALDH1A1 (0.43) | CYP2C9ALDH1A1CYP2C19TSHRKMT2A | |
| SCHEMBL20383920 | 0.68 | GSR (0.48) | ALDH1A1HSD17B10MAPK1TSHRKMT2A | |
| SCHEMBL12551390 | 0.68 | AKT1 (0.43) | CYP2C9CYP3A4ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL19961701 | 0.68 | RPS6KA5 (0.55) | CYP1A2ALDH1A1CASP1IDO1GFER | |
| SCHEMBL19961691 | 0.68 | AKT1 (0.56) | ALDH1A1CYP2C19TSHRKDM4EGFER | |
| SCHEMBL28143393 | 0.68 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP3A4ALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486883-A | Purinyl fluorescent probe EDPH and application thereof in detection of content of hydrogen sulfide or Hela cell imaging | 江苏科技大学 | 2024-02-02 | — | — | CN | claimed |
| CN-117486883-A | Purinyl fluorescent probe EDPH and application thereof in detection of content of hydrogen sulfide or Hela cell imaging | 江苏科技大学 | 2024-02-02 | — | — | CN | disclosed |