Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 8/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22658701 | 1.00 | NOS3 (0.43) | NOS3NOS2ASIC3P2RX7IDH1 | |
| SCHEMBL12817883 | 0.80 | NOS3 (0.43) | NOS3NOS2P2RX7PGK1PGK2 | |
| SCHEMBL19413042 | 0.80 | NOS3 (0.43) | NOS3NOS2ASIC3IDH1MCHR1 | |
| SCHEMBL22828437 | 0.79 | NOS3 (0.46) | NOS3NOS2ASIC3P2RX7IDH1 | |
| SCHEMBL181081 | 0.79 | P2RX7 (0.47) | NOS3NOS2ASIC3P2RX7IDH1 | |
| SCHEMBL30531687 | 0.79 | P2RX7 (0.47) | NOS3NOS2ASIC3P2RX7IDH1 | |
| SCHEMBL13331786 | 0.78 | PGK1 (0.36) | P2RX7IDH1PGK1PGK2 | |
| Hydrochloric Acid SCHEMBL23649640 | 0.78 | NOS3 (0.45) | NOS3NOS2ASIC3P2RX7IDH1 | |
| SCHEMBL28670884 | 0.75 | NOS3 (0.35) | NOS3NOS2ASIC3P2RX7MCHR1 | |
| SCHEMBL22545208 | 0.74 | NOS3 (0.42) | NOS3NOS2ASIC3P2RX7IDH1 |
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-114008025-A | ACSS2 inhibitors and methods of use thereof | 美特波米德有限公司 | 2022-02-01 | — | — | CN | disclosed |