Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 2/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 2/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | KDM6B | O15054 | 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 | |
|---|---|---|---|---|
| SCHEMBL17611245 | 0.80 | NAPRT (0.46) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL28280472 | 0.79 | KDM4E (0.38) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL353204 | 0.79 | KDM4E (0.40) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL10766873 | 0.78 | CYP3A4 (0.39) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| Hydrochloric Acid SCHEMBL4249059 | 0.78 | KDM4E (0.39) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL9684174 | 0.78 | KDM4E (0.50) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL7612137 | 0.78 | L3MBTL1 (0.38) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL9504653 | 0.78 | KDM4E (0.39) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL30049082 | 0.78 | KDM4E (0.50) | KDM4EALDH1A1L3MBTL1TDP1LMNA | |
| SCHEMBL8895032 | 0.77 | ALDH1A1 (0.36) | KDM4EALDH1A1L3MBTL1ASPHKDM8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104341425-B | Deuterated acetylene-derivative, its pharmaceutical composition and application | 上海医药集团股份有限公司 | 2018-11-02 | — | — | CN | disclosed |