Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 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 | |
|---|---|---|---|---|
| SCHEMBL17323995 | 0.79 | PIK3CA (0.42) | ALDH1A1PKMSCN5ACA2KDM4E | |
| SCHEMBL31383583 | 0.79 | SCN5A (0.38) | ALDH1A1PKMCDC7CDK2SCN5A | |
| SCHEMBL28550637 | 0.79 | SCN5A (0.38) | ALDH1A1PKMCDC7CDK2SCN5A | |
| SCHEMBL15898895 | 0.76 | PSEN1 (0.41) | ALDH1A1PKMSCN5ACA2KDM4E | |
| SCHEMBL16629843 | 0.76 | PSEN1 (0.45) | ALDH1A1SCN5ACA2KDM4EPIK3CA | |
| SCHEMBL25099097 | 0.76 | MAT2A (0.40) | ALDH1A1PKMSCN5ACA2KDM4E | |
| SCHEMBL3089803 | 0.76 | PSEN1 (0.41) | ALDH1A1PKMSCN5ACA2KDM4E | |
| SCHEMBL3070883 | 0.76 | PIK3CA (0.44) | ALDH1A1PKMSCN5ACA2KDM4E | |
| SCHEMBL24369209 | 0.74 | ALDH1A1 (0.44) | ALDH1A1PKMKDM4EHPGDNPC1 | |
| SCHEMBL31204862 | 0.73 | ACSS2 (0.34) | SCN5ASMPD3CYP11B2 |
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-2021000957-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 北京国鸿生物医药科技有限公司 | 2021-01-07 | — | — | WO | disclosed |