Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29178289 | 0.90 | SMN1; SMN2 (0.57) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL29178274 | 0.87 | CA12 (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL29178270 | 0.86 | MEN1 (0.57) | MEN1KMT2APOLBMAPTMAPK1 | |
| SCHEMBL14794998 | 0.83 | POLB (0.54) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL29178269 | 0.82 | NPC1 (0.59) | MEN1KMT2APOLBMAPTCYP1A2 | |
| SCHEMBL30965769 | 0.80 | POLB (0.56) | POLBUSP2CYP1A2HTTALDH1A1 | |
| SCHEMBL26682570 | 0.79 | LMNA (0.52) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL29178280 | 0.78 | GRM5 (0.52) | POLBMAPTHTTNPC1RAB9A | |
| SCHEMBL11056826 | 0.76 | MAPT (0.62) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL2704288 | 0.75 | LMNA (0.79) | CA12CA1CA2CA9MEN1 |
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 |