Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15166040 | 0.76 | CHRNB2 (0.54) | NISCHCHRNB2CHRNA4CHRNA7MEN1 | |
| SCHEMBL4080011 | 0.76 | CHRNB2 (0.54) | NISCHCHRNB2CHRNA4CHRNA7MEN1 | |
| Iodide SCHEMBL30387487 | 0.75 | CHRNB2 (0.53) | NISCHCHRNB2CHRNA4CHRNA7MEN1 | |
| SCHEMBL987383 | 0.75 | DDB1 (0.37) | NISCHKMT2APOLBCYP1A2PARP1 | |
| Hydrochloric Acid SCHEMBL15157079 | 0.75 | CHRNB2 (0.53) | NISCHCHRNB2CHRNA4CHRNA7MEN1 | |
| Hydrochloric Acid SCHEMBL15157073 | 0.75 | CHRNB2 (0.53) | NISCHCHRNB2CHRNA4CHRNA7MEN1 | |
| Iodide SCHEMBL29022381 | 0.75 | CHRNB2 (0.53) | NISCHCHRNB2CHRNA4CHRNA7MEN1 | |
| SCHEMBL20993216 | 0.75 | DDB1 (0.37) | NISCHKMT2APOLBCYP1A2PARP1 | |
| SCHEMBL20993362 | 0.75 | DDB1 (0.37) | NISCHKMT2APOLBCYP1A2PARP1 | |
| Hydrochloric Acid SCHEMBL6965524 | 0.74 | DDB1 (0.36) | NISCHKMT2APOLBCYP1A2PARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101389630-A | Protein kinase inhibitors | ABBOTT LAB (US) | 2009-03-18 | — | — | CN | disclosed |
| CN-1812790-A | 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor | WYETH CORP (US) | 2006-08-02 | — | — | CN | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |