Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | RBBP9 | O75884 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.37 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3240079 | 0.78 | ALDH1A1 (0.55) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9568970 | 0.74 | — | — | |
| SCHEMBL11936427 | 0.71 | ALDH1A1 (0.61) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27531002 | 0.70 | ALDH1A1 (0.50) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL27990749 | 0.68 | ADORA2A (0.52) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL247631 | 0.68 | — | — | |
| SCHEMBL175249 | 0.67 | ALDH1A1 (0.67) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28027939 | 0.67 | ALDH1A1 (0.67) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27699628 | 0.67 | ALDH1A1 (0.55) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL27358834 | 0.66 | — | — |
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-104619328-B | The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one | 科赛普特治疗学股份有限公司 | 2018-10-02 | — | — | CN | disclosed |