Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| N-Methylpiperidine SCHEMBL7161501 | 0.97 | TSHR (0.46) | TSHRCA12CA7CA14SMN1; SMN2 | |
| SCHEMBL13189560 | 0.94 | — | — | |
| SCHEMBL26818714 | 0.94 | TSHR (0.44) | TSHRCA12CA7CA14SMN1; SMN2 | |
| SCHEMBL27480457 | 0.92 | TSHR (0.43) | TSHRCA12CA7CA14SMN1; SMN2 | |
| SCHEMBL791597 | 0.91 | — | — | |
| SCHEMBL4622 | 0.90 | — | — | |
| SCHEMBL1221354 | 0.90 | — | — | |
| SCHEMBL20614479 | 0.90 | CA12 (0.45) | TSHRCA12CA7CA14SMN1; SMN2 | |
| SCHEMBL8136165 | 0.90 | — | — | |
| SCHEMBL2123718 | 0.90 | CA12 (0.45) | TSHRCA12CA7CA14SMN1; 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-115246858-A | Phosphine-oxa bidentate ligand and its coordinated transition metal complex and use | 东莞市均成高新材料有限公司 | 2022-10-28 | — | — | CN | disclosed |