Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 6/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16827311 | 0.77 | KMT2A (0.44) | BCAT2KMT2AHTR2AHTR2CHTR2B | |
| SCHEMBL6008423 | 0.73 | BRD4 (0.39) | — | |
| SCHEMBL15467684 | 0.73 | NR1H2 (0.42) | BCAT2KMT2ANR1H2NR1H3HTR2A | |
| SCHEMBL29918241 | 0.72 | BCAT2 (0.46) | BCAT2KMT2ANR1H2NR1H3HTR2A | |
| SCHEMBL8523119 | 0.72 | BCAT2 (0.46) | BCAT2KMT2ANR1H2NR1H3HTR2A | |
| SCHEMBL22903989 | 0.72 | GAA (0.42) | KMT2AKDM4EALDH1A1 | |
| SCHEMBL30205876 | 0.71 | CYP2A6 (0.46) | KMT2AHTR2AHTR2CHTR2BCES1 | |
| SCHEMBL30013551 | 0.70 | NR1H2 (0.41) | BCAT2KMT2ANR1H2NR1H3HTR2A | |
| SCHEMBL123507 | 0.70 | KMT2A (0.44) | BCAT2KMT2ANR1H2NR1H3HTR2A | |
| SCHEMBL24786745 | 0.68 | KMT2A (0.42) | BCAT2KMT2ANR1H2NR1H3HTR2A |
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-117486873-A | Fluorophenyl piperidone compound and derivative and pharmaceutical application thereof | 中国人民解放军空军军医大学 | 2024-02-02 | — | — | CN | disclosed |