Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 1/20 | 0.63 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.62 |
| ▸ | NOS2 | P35228 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TACR3 | P29371 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | NOS3 | P29474 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30272391 | 0.88 | PYGL (0.61) | PYGLPSMB5NOS2ALDH1A1TACR3 | |
| SCHEMBL28613898 | 0.88 | NOS2 (0.55) | PYGLPSMB5NOS2ALDH1A1TACR3 | |
| SCHEMBL28611896 | 0.87 | NOS2 (0.61) | PYGLNOS2ALDH1A1TACR3KDM4E | |
| SCHEMBL4369254 | 0.83 | ALDH1A1 (0.58) | PYGLPSMB5NOS2ALDH1A1TACR3 | |
| SCHEMBL28603072 | 0.82 | GAA (0.71) | PYGLNOS2ALDH1A1KDM4ERAB9A | |
| SCHEMBL3746393 | 0.82 | ALDH1A1 (0.55) | PYGLNOS2ALDH1A1TACR3KDM4E | |
| SCHEMBL28919650 | 0.81 | ALDH1A1 (0.65) | PYGLNOS2ALDH1A1RAB9AATM | |
| SCHEMBL5926278 | 0.81 | PYGL (0.55) | PYGLPSMB5NOS2ALDH1A1TACR3 | |
| SCHEMBL297398 | 0.80 | ATM (0.61) | PYGLPSMB5NOS2ALDH1A1RAB9A | |
| SCHEMBL24133466 | 0.79 | PYGL (0.56) | PYGLNOS2ALDH1A1TACR3KDM4E |
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 |