Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6603994 | 0.87 | CHRM5 (0.44) | GAANOTUMCHRM5CHRM3ALDH1A1 | |
| SCHEMBL14012690 | 0.81 | CHRM5 (0.39) | GAANOTUMCHRM5CHRM3ALDH1A1 | |
| Piperazine SCHEMBL28218073 | 0.77 | TSHR (0.39) | KDM4EHSD17B10L3MBTL1ALDH1A1MEN1 | |
| SCHEMBL16062677 | 0.76 | LMNA (0.39) | GAACHRM5CHRM3ALDH1A1MEN1 | |
| Pyridine SCHEMBL1514812 | 0.72 | CYP3A4 (0.44) | KDM4EGAAHSD17B10L3MBTL1CHRM5 | |
| SCHEMBL20762100 | 0.72 | TP53 (0.51) | L3MBTL1NOTUMALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1418067 | 0.72 | CHRM5 (0.54) | CHRM5CHRM3SIGMAR1ALDH1A1MEN1 | |
| SCHEMBL28859833 | 0.72 | ALDH1A1 (0.52) | HSD17B10L3MBTL1ALDH1A1MEN1MAPT | |
| Pyridine SCHEMBL28209413 | 0.72 | CYP3A4 (0.44) | KDM4EGAAHSD17B10L3MBTL1CHRM5 | |
| Pyridine SCHEMBL28212314 | 0.71 | SIGMAR1 (0.45) | KDM4EGAAHSD17B10L3MBTL1SIGMAR1 |
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-108025003-A | Treatment of prefrontal cortical disorders, gait and limb disorders | 基尔罗斯制药有限公司 | 2018-05-11 | — | — | CN | claimed |