Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28712227 | 0.85 | ALDH1A1 (0.37) | ALDH1A1HPGDKDM4EGAAMEN1 | |
| SCHEMBL28704258 | 0.82 | MIF (0.39) | ALDH1A1MIFPTGS2NOS3NOS1 | |
| SCHEMBL4073891 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MIFPTGS2NOS3NOS1 | |
| SCHEMBL29956618 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MIFPTGS2NOS3NOS1 | |
| SCHEMBL12028942 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MIFPTGS2NOS3NOS1 | |
| SCHEMBL28694143 | 0.77 | TACR1 (0.33) | KDM4EMEN1KMT2AMIFPTGS2 | |
| SCHEMBL28705340 | 0.76 | ALDH1A1 (0.36) | ALDH1A1HPGDKDM4EGAAMEN1 | |
| SCHEMBL2554121 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KMT2AMIFPTGS2SMN1; SMN2 | |
| SCHEMBL2557114 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KMT2AMIFPTGS2SMN1; SMN2 | |
| SCHEMBL8886558 | 0.75 | LTA4H (0.47) | ALDH1A1MEN1KMT2APTGS2ATM |
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-114181150-A | Pyrazole amide derivative, preparation method and application thereof | 沈阳万菱生物技术有限公司 | 2022-03-15 | — | — | CN | disclosed |