Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL5239257 | 1.00 | CYP1A2 (0.41) | CYP1A2ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5238497 | 0.89 | GRM5 (0.34) | CYP1A2ALDH1A1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL5238502 | 0.89 | GRM5 (0.34) | CYP1A2ALDH1A1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL5234867 | 0.89 | CYP1A2 (0.39) | CYP1A2ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5234873 | 0.89 | CYP1A2 (0.39) | CYP1A2ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5239810 | 0.88 | THRB (0.40) | ALDH1A1LMNAKDM4ESMN1; SMN2THRB | |
| SCHEMBL5237769 | 0.88 | GRM5 (0.35) | CYP1A2ALDH1A1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL5237774 | 0.88 | GRM5 (0.35) | CYP1A2ALDH1A1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL5239805 | 0.88 | THRB (0.40) | ALDH1A1LMNAKDM4ESMN1; SMN2THRB | |
| SCHEMBL5236531 | 0.88 | CYP1A2 (0.42) | CYP1A2ALDH1A1LMNAKDM4ESMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |