Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 3/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566545 | 0.84 | RECQL (0.56) | AGPAT2HTR2BPDE4DRECQLALDH1A1 | |
| SCHEMBL8413224 | 0.75 | CDK9 (0.56) | AGPAT2HTR2BPDE4DALDH1A1MEN1 | |
| SCHEMBL9566471 | 0.74 | RECQL (0.78) | AGPAT2HTR2BPDE4DRECQLALDH1A1 | |
| SCHEMBL4357076 | 0.72 | AGPAT2 (0.78) | AGPAT2RECQLALDH1A1MEN1LMNA | |
| SCHEMBL15869672 | 0.71 | SCN4A (0.56) | SLC6A4ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL4363416 | 0.71 | AGPAT2 (0.83) | AGPAT2RECQLALDH1A1MEN1LMNA | |
| SCHEMBL1505009 | 0.71 | ALDH1A1 (0.67) | SLC6A4ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL21067529 | 0.70 | NPC1 (0.59) | RECQLALDH1A1LMNAL3MBTL1DHFR | |
| SCHEMBL9566554 | 0.68 | HTR2B (0.72) | AGPAT2HTR2BPDE4DRECQLALDH1A1 | |
| Irsogladine SCHEMBL62215 | 0.68 | HTR2B (1.00) | AGPAT2HTR2BPDE4DRECQLALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0563386-A1 | ANTICANCER COMPOSITION AND COMPOUND | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-10-06 | — | — | EP | disclosed |