Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL30422008 | 0.77 | HDAC1 (0.45) | CYP1A2HDAC3NPC1RAB9AHDAC1 | |
| SCHEMBL29066506 | 0.77 | HDAC1 (0.45) | CYP1A2HDAC3NPC1RAB9AHDAC1 | |
| SCHEMBL3800901 | 0.75 | MAPK10 (0.47) | CYP1A2CYP3A4CYP2C19HDAC3NPC1 | |
| SCHEMBL11390646 | 0.70 | NPC1 (0.58) | CYP3A4CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27976381 | 0.70 | PIM1 (0.55) | HDAC3HDAC1HDAC2HDAC6GRM1 | |
| SCHEMBL38654703 | 0.70 | PTGS2 (0.51) | CYP3A4GRM1GRM4TSHRPTGDR2 | |
| SCHEMBL12775585 | 0.69 | GRM4 (0.77) | GRM1GRM4 | |
| SCHEMBL168520 | 0.69 | GRM4 (0.63) | NPC1RAB9AGRM1GRM4PTGDR2 | |
| SCHEMBL19476144 | 0.69 | MMP13 (0.60) | CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28191554 | 0.69 | KDM4E (0.43) | CYP3A4HDAC3HDAC1HDAC6GRM1 |
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-116283822-A | Thiazole and imidazo [1,2-a ] pyridine acylhydrazone compounds and application thereof | 西北农林科技大学 | 2023-06-23 | — | — | CN | claimed |
| CN-116283822-A | Thiazole and imidazo [1,2-a ] pyridine acylhydrazone compounds and application thereof | 西北农林科技大学 | 2023-06-23 | — | — | CN | disclosed |