Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL31098611 | 0.88 | CYP1A2 (0.49) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29289659 | 0.84 | CYP1A2 (0.48) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL31098635 | 0.83 | MAPT (0.53) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL10956888 | 0.83 | MAPT (0.53) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29289939 | 0.82 | MAPT (0.44) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL28628270 | 0.82 | KDM4E (0.59) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL69653 | 0.81 | MAPT (0.64) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12678009 | 0.79 | P2RX7 (0.53) | CYP1A2NPC1RAB9AGRM5KDM4E | |
| SCHEMBL2348238 | 0.78 | CYP1A2 (0.47) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29289762 | 0.78 | MAPT (0.48) | CYP1A2MAPTSMN1; SMN2NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112707873-B | Substituted oxazole derivative and application thereof in medicines | 广东东阳光药业股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116354894-A | Substituted piperazine compound and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-113563245-A | Substituted pyrrolidine compounds and application thereof in medicines | 广东东阳光药业有限公司 | 2021-10-29 | — | — | CN | disclosed |