Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TACR3 | P29371 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ELANE | P08246 | 2/20 | 0.54 |
| ▸ | CTSV | O60911 | 1/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4172927 | 1.00 | ATM (0.59) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL30118392 | 0.87 | L3MBTL1 (0.74) | GAAL3MBTL1CTSVCTSLCTSS | |
| SCHEMBL9716620 | 0.87 | L3MBTL1 (0.74) | GAAL3MBTL1CTSVCTSLCTSS | |
| SCHEMBL16993893 | 0.87 | L3MBTL1 (0.74) | GAAL3MBTL1CTSVCTSLCTSS | |
| SCHEMBL4177396 | 0.87 | ATM (0.58) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL4166667 | 0.87 | POLB (0.59) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28613885 | 0.85 | HPGD (0.58) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28613992 | 0.85 | KMT2A (0.60) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28611896 | 0.85 | NOS2 (0.61) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL30272415 | 0.85 | ATM (0.58) | ATMALDH1A1TACR3KDM4EPKM |
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-106008665-B | Compound with tumor proliferation inhibition function and preparation method and application thereof | 北京大学 | 2021-03-16 | — | — | CN | disclosed |