Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | GCK | P35557 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | ME2 | P23368 | 1/20 | 0.46 |
| ▸ | ME1 | P48163 | 1/20 | 0.46 |
| ▸ | ME3 | Q16798 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29178285 | 0.87 | CA12 (0.58) | CA12CA2CA9HTTKMT2A | |
| SCHEMBL29178289 | 0.84 | SMN1; SMN2 (0.57) | CA12CA2CA9AKR1C3HTT | |
| SCHEMBL25294154 | 0.80 | KMT2A (0.51) | LMNAKMT2AMAPT | |
| SCHEMBL29178270 | 0.80 | MEN1 (0.57) | AKR1C3HTTLMNAKMT2AMAPK1 | |
| SCHEMBL25293555 | 0.79 | KMT2A (0.54) | LMNAKMT2AGLAMAPT | |
| SCHEMBL29178292 | 0.77 | LMNA (0.75) | CA12CA2CA9HTTLMNA | |
| SCHEMBL4581583 | 0.77 | BRD4 (0.50) | MMP3MMP9MMP8MMP13 | |
| SCHEMBL29178269 | 0.76 | NPC1 (0.59) | LMNAKMT2AMAPK1MAPTSMN1; SMN2 | |
| SCHEMBL26682570 | 0.76 | LMNA (0.52) | CA12CA2CA9LMNAKMT2A | |
| SCHEMBL1458650 | 0.75 | CA12 (0.71) | CA12CA2CA9SLC6A9AKR1C3 |
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 |