Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6807941 | 0.84 | KDM4E (0.42) | ALDH1A1HPGDLMNACA1CA2 | |
| SCHEMBL14335016 | 0.80 | POLB (0.37) | HTR2BSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL7530230 | 0.71 | CYP3A4 (0.56) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL27635075 | 0.71 | CYP3A4 (0.45) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL5379461 | 0.70 | CYP3A4 (0.48) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL19891259 | 0.70 | OPRM1 (0.47) | — | |
| SCHEMBL21890005 | 0.70 | OPRM1 (0.47) | — | |
| SCHEMBL10752236 | 0.68 | ADRA1A (0.41) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL28231414 | 0.67 | CYP3A4 (0.44) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL31738485 | 0.67 | CYP3A4 (0.67) | CYP3A4ACHEALOX15SMN1; SMN2TDP1 |
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-110256500-B | Metal complex containing [1,2,4] triazolo [4,3-a ] pyridine structural unit and application | 浙江工业大学 | 2022-08-30 | — | — | CN | disclosed |