Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20439375 | 1.00 | DHFR (0.37) | DHFRHRH3CYP2D6MAOBMAOA | |
| SCHEMBL20425125 | 0.85 | DHFR (0.37) | DHFRHRH3CYP2D6MAOBMAOA | |
| SCHEMBL20439319 | 0.82 | SCN4A (0.48) | MAOBMAOAKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL5355437 | 0.82 | SCN4A (0.48) | MAOBMAOAKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL20439308 | 0.78 | MAOB (0.44) | MAOBMAOAKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20439307 | 0.78 | MAOB (0.44) | MAOBMAOAKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8601010 | 0.78 | LMNA (0.46) | DHFRHRH3CYP2D6MAOBMAOA | |
| SCHEMBL20439362 | 0.77 | TNF (0.34) | PDE4AHPGDPDE4BPDE4CPDE4D | |
| SCHEMBL20439359 | 0.77 | TNF (0.34) | PDE4AHPGDPDE4BPDE4CPDE4D | |
| SCHEMBL20439314 | 0.77 | SCN4A (0.43) | MAOBMAOAKMT2ASMN1; SMN2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018138739-A1 | NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |