Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.43 |
| ▸ | ITGAL | P20701 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155604 | 0.85 | NPC1 (0.43) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL20155463 | 0.83 | ALOX15 (0.45) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL20155710 | 0.82 | ALDH1A1 (0.51) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL20155629 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL11478454 | 0.76 | TSHR (0.56) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL20155641 | 0.74 | TDP1 (0.49) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL5383722 | 0.73 | KDM4E (0.54) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL20155636 | 0.72 | ALDH1A1 (0.41) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL18250335 | 0.72 | CXCR2 (0.58) | ALDH1A1NPC1RAB9ASMN1; SMN2CXCR2 | |
| SCHEMBL21191072 | 0.70 | ALDH1A1 (0.65) | ALDH1A1ALOX15GAAHTTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |