Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30041610 | 0.82 | EGFR (0.50) | HSD17B10TSHRLMNAKMT2AMAPK1 | |
| SCHEMBL27864358 | 0.80 | MAP2K1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL20551942 | 0.77 | ABL1 (0.52) | ABL1 | |
| SCHEMBL8760144 | 0.76 | HPGD (0.68) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL441088 | 0.75 | AURKA (0.73) | CLK4KDRMAP4K4EGFRMAPK8 | |
| SCHEMBL21596304 | 0.74 | PIN1 (0.55) | ALDH1A1CLK4MEN1KMT2AMAPK1 | |
| SCHEMBL30379431 | 0.74 | PIN1 (0.55) | ALDH1A1CLK4MEN1KMT2AMAPK1 | |
| SCHEMBL14137652 | 0.74 | CLK4 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL31016065 | 0.74 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL14137650 | 0.74 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 |
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-112313207-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2023-02-14 | — | — | CN | disclosed |