Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28135155 | 0.75 | GUSB (0.69) | KDM4EGAAGUSBHPGD | |
| SCHEMBL186872 | 0.74 | PI4KA (0.49) | TYMPKDM4EALPLGAAPI4KA | |
| SCHEMBL17829671 | 0.73 | GUSB (0.58) | TYMPMAPK14GUSB | |
| SCHEMBL10412916 | 0.72 | BTK (0.59) | KDM4EGAACYP1A2CYP2C19POLB | |
| SCHEMBL20362681 | 0.72 | BTK (0.59) | KDM4EGAACYP1A2CYP2C19POLB | |
| SCHEMBL24317556 | 0.72 | PI4KA (0.47) | TYMPKDM4EALPLGAAPI4KA | |
| SCHEMBL11828539 | 0.71 | PI4KA (0.55) | TYMPKDM4EALPLGAAPI4KA | |
| SCHEMBL31677102 | 0.70 | NPC1 (0.66) | KDM4EGAAHPGD | |
| SCHEMBL784353 | 0.70 | NPC1 (0.66) | KDM4EGAAHPGD | |
| SCHEMBL29825055 | 0.70 | NPC1 (0.66) | KDM4EGAAHPGD |
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-116655549-A | Preparation method of polysubstituted 1,3,5-triazine derivative | 湖北尚赛光电材料有限公司 | 2023-08-29 | — | — | CN | disclosed |