Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TACR3 | P29371 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | NOS3 | P29474 | 1/20 | 0.55 |
| ▸ | NOS1 | P29475 | 1/20 | 0.55 |
| ▸ | NOS2 | P35228 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450002 | 0.86 | CTSL (0.60) | KMT2AALDH1A1RAB9ANPC1POLB | |
| SCHEMBL16993908 | 0.86 | CTSL (0.60) | KMT2AALDH1A1RAB9ANPC1POLB | |
| SCHEMBL6582410 | 0.86 | MAPT (0.53) | KMT2AALDH1A1RAB9ANPC1GAA | |
| SCHEMBL28595293 | 0.85 | ATM (0.59) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL4172927 | 0.85 | ATM (0.59) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28613885 | 0.84 | HPGD (0.58) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28597797 | 0.84 | POLB (0.58) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28611896 | 0.84 | NOS2 (0.61) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL28603069 | 0.84 | ATM (0.58) | ATMALDH1A1TACR3KDM4EPKM | |
| SCHEMBL30272415 | 0.84 | 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 |