Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30475184 | 0.87 | LMNA (0.35) | SMN1; SMN2LMNA | |
| SCHEMBL30475187 | 0.80 | RXRB (0.30) | — | |
| SCHEMBL14578492 | 0.72 | SLC6A2 (0.36) | ALDH1A1ATMNPSR1CYP1A2CYP2A6 | |
| SCHEMBL18643566 | 0.72 | SLC6A2 (0.36) | ALDH1A1ATMNPSR1CYP1A2CYP2A6 | |
| SCHEMBL10035307 | 0.72 | SLC6A2 (0.36) | ALDH1A1ATMNPSR1CYP1A2CYP2A6 | |
| SCHEMBL10029425 | 0.72 | ATM (0.34) | ALDH1A1FFAR4ATMNPSR1SMN1; SMN2 | |
| SCHEMBL19367692 | 0.72 | CYP1A2 (0.33) | ALDH1A1FFAR4ATMNPSR1SMN1; SMN2 | |
| SCHEMBL26999305 | 0.72 | SLC6A2 (0.33) | ALDH1A1FFAR4ATMNPSR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL14777110 | 0.71 | SLC6A2 (0.35) | ALDH1A1ATMNPSR1CYP1A2CYP2A6 | |
| SCHEMBL23372962 | 0.71 | RIPK1 (0.33) | ALDH1A1FFAR4ATMNPSR1SMN1; SMN2 |
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-115974927-A | Diamine-derived phosphine chiral phosphine oxide ligand-promoted nickel-catalyzed asymmetric alkylation of pyridine C2-H bond | 南开大学 | 2023-04-18 | — | — | CN | disclosed |