Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NOS3 | P29474 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | NOS2 | P35228 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | RBP4 | P02753 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13234915 | 0.78 | MAPT (0.77) | KMT2AGAAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL6966880 | 0.77 | FAAH (0.55) | KMT2AGAAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL6956624 | 0.76 | NPY5R (0.58) | KMT2AALDH1A1SMN1; SMN2MAPTMAPK1 | |
| SCHEMBL8699365 | 0.75 | ALDH1A1 (0.58) | KMT2AGAAALDH1A1RBP4MAPT | |
| SCHEMBL20072349 | 0.75 | PHGDH (0.77) | PHGDHKMT2AGAANOS3NOS1 | |
| SCHEMBL20063159 | 0.75 | PHGDH (1.00) | PHGDH | |
| SCHEMBL13996934 | 0.74 | MET (0.57) | PHGDHNOS3NOS1NOS2POLB | |
| SCHEMBL4916560 | 0.74 | HTT (0.52) | KMT2AGAAALDH1A1SMN1; SMN2RBP4 | |
| SCHEMBL1138338 | 0.74 | HTT (0.52) | KMT2AGAAALDH1A1SMN1; SMN2RBP4 | |
| SCHEMBL25189182 | 0.74 | RIOK2 (0.60) | PHGDHNOS3NOS1NOS2ALDH1A1 |
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-117736163-A | Phenylpiperazine derivative or pharmaceutical salt thereof, preparation method and application thereof in preparation of pain treatment drugs | 郑州大学第一附属医院 | 2024-03-22 | — | — | CN | claimed |
| CN-117736163-A | Phenylpiperazine derivative or pharmaceutical salt thereof, preparation method and application thereof in preparation of pain treatment drugs | 郑州大学第一附属医院 | 2024-03-22 | — | — | CN | disclosed |