Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29178280 | 0.88 | GRM5 (0.52) | NPC1RAB9APOLBKDM4ELMNA | |
| SCHEMBL29178285 | 0.82 | CA12 (0.58) | NPC1RAB9APOLBKDM4ETSHR | |
| SCHEMBL14794998 | 0.77 | POLB (0.54) | NPC1POLBLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL5234913 | 0.77 | KDM4E (0.73) | NPC1RAB9APOLBKDM4EALOX15 | |
| SCHEMBL29178289 | 0.76 | SMN1; SMN2 (0.57) | KDM4ELMNAALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL29178274 | 0.76 | CA12 (0.53) | LMNASMN1; SMN2KMT2AMAPTMAPK1 | |
| SCHEMBL27918174 | 0.75 | SMN1; SMN2 (0.73) | NPC1RAB9APOLBKDM4EALOX15 | |
| SCHEMBL30965769 | 0.75 | POLB (0.56) | POLBALOX15ALDH1A1CYP1A2 | |
| SCHEMBL29178270 | 0.73 | MEN1 (0.57) | NPC1RAB9APOLBLMNAALDH1A1 | |
| SCHEMBL8698562 | 0.72 | SMN1; SMN2 (0.69) | NPC1RAB9APOLBKDM4EALOX15 |
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 |