Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12305071 | 0.80 | MAPT (0.59) | DRD2DRD1ALDH1A1MAPTNFKB1 | |
| SCHEMBL14525559 | 0.80 | DRD2 (0.36) | DRD2DRD1ALDH1A1MAPTNFKB1 | |
| SCHEMBL26178860 | 0.80 | SIGMAR1 (0.42) | DRD2DRD1ALDH1A1MAPTNFKB1 | |
| SCHEMBL15413018 | 0.78 | ATM (0.41) | DRD2DRD1ALDH1A1MAPTNFKB1 | |
| SCHEMBL12924515 | 0.77 | CYP3A4 (0.46) | DRD2DRD1ALDH1A1MAPTKDM4E | |
| SCHEMBL15413015 | 0.77 | DRD2 (0.32) | DRD2DRD1ALDH1A1MAPTNFKB1 | |
| SCHEMBL25945156 | 0.75 | CYP2A6 (0.34) | ALDH1A1MAPTNPC1CYP2A6CYP2A13 | |
| SCHEMBL13218790 | 0.74 | ALDH1A1 (0.36) | DRD2DRD1ALDH1A1MAPTNFKB1 | |
| SCHEMBL8912019 | 0.74 | AHR (0.38) | DRD2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL14525561 | 0.72 | HTR2A (0.44) | DRD2DRD1ALDH1A1MAPTNFKB1 |
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-107235818-B | Method based on cobalt salt selective catalytic hydrogenation polycyclic aromatic hydrocarbon | 四川大学 | 2019-07-09 | — | — | CN | disclosed |