Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | WDR91 | A4D1P6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2297674 | 0.78 | NOTUM (0.58) | RORCNOTUMKDM4EALDH1A1LMNA | |
| SCHEMBL5053496 | 0.75 | CHKA (0.44) | RORCNOTUMMEN1KMT2A | |
| SCHEMBL6132253 | 0.70 | MAPT (0.51) | AKR1C3KDM4EALDH1A1MAPTHRH3 | |
| SCHEMBL6132255 | 0.70 | MAPT (0.51) | AKR1C3KDM4EALDH1A1MAPTHRH3 | |
| SCHEMBL15532039 | 0.70 | PARP1 (0.46) | RORCNOTUMJAK3 | |
| SCHEMBL30188574 | 0.69 | SMN1; SMN2 (0.37) | RORCNOTUMKDM4EALDH1A1POLB | |
| SCHEMBL30932001 | 0.68 | CTSK (0.43) | AKR1C3KMT2AJAK3 | |
| SCHEMBL14662156 | 0.68 | AKR1C3 (0.50) | AKR1C3RORCNOTUMKDM4EMAPT | |
| SCHEMBL2636602 | 0.68 | NOTUM (0.54) | RORCNOTUMALDH1A1MAPTWDR91 | |
| SCHEMBL15531010 | 0.68 | NOTUM (0.36) | RORCNOTUMKDM4EALDH1A1LMNA |
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-117751113-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-22 | — | — | CN | disclosed |
| WO-2023011573-A1 | AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-02-09 | — | — | WO | disclosed |