Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28874432 | 0.91 | XDH (0.46) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28874556 | 0.89 | MAPT (0.56) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28874309 | 0.87 | MAPT (0.56) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28874557 | 0.84 | MAPT (0.55) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28874308 | 0.84 | MAPT (0.52) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28874335 | 0.84 | MAPT (0.52) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL29878653 | 0.82 | HPGD (0.70) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28957543 | 0.82 | HPGD (0.70) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL28874398 | 0.81 | CYP1A2 (0.49) | HPGDCYP1A2CYP2C9CYP2C19GFER | |
| SCHEMBL29032757 | 0.81 | HPGD (0.67) | HPGDCYP1A2CYP2C9CYP2C19GFER |
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-115124485-B | Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-12-15 | — | — | CN | disclosed |
| CN-115124485-A | Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof | 中国医学科学院药物研究所 | 2022-09-30 | — | — | CN | disclosed |