Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | STS | P08842 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.49 |
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 | 0.90 | CA12 (0.58) | SMN1; SMN2ALDH1A1CA12CA2CA9 | |
| SCHEMBL29178274 | 0.84 | CA12 (0.53) | SMN1; SMN2LMNACA12CA2CA9 | |
| SCHEMBL29178270 | 0.83 | MEN1 (0.57) | SMN1; SMN2LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL25256003 | 0.77 | STS (0.64) | LMNAALDH1A1CA2STSKMT2A | |
| SCHEMBL14794998 | 0.77 | POLB (0.54) | SMN1; SMN2LMNAALDH1A1CA12CA2 | |
| SCHEMBL26682570 | 0.76 | LMNA (0.52) | SMN1; SMN2LMNACA12CA2CA9 | |
| SCHEMBL29178269 | 0.76 | NPC1 (0.59) | SMN1; SMN2LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL13234938 | 0.75 | CA12 (0.77) | SMN1; SMN2LMNACA12CA2CA9 | |
| SCHEMBL4115915 | 0.75 | P2RY12 (0.49) | ALDH1A1STSP2RY12PKMKDM4E | |
| SCHEMBL30965769 | 0.75 | POLB (0.56) | ALDH1A1STSHTT |
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 |