Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28874349 | 0.91 | P2RY14 (0.47) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL29878623 | 0.91 | P2RY14 (0.47) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874444 | 0.90 | GSK3B (0.43) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874288 | 0.90 | BCHE (0.41) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874398 | 0.89 | CYP1A2 (0.49) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874437 | 0.89 | CYP1A2 (0.44) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL29878676 | 0.88 | VSIR (0.44) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874447 | 0.88 | VSIR (0.44) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874406 | 0.85 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL28874396 | 0.84 | LMNA (0.47) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 |
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 |