Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.31 |
| ▸ | RAB9A | P51151 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 2/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.31 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4587403 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ACISD1IGF1R | |
| Trifluoroacetic Acid SCHEMBL2995754 | 0.96 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2ACISD1IGF1R | |
| Trifluoroacetic Acid SCHEMBL2995750 | 0.96 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2ACISD1IGF1R | |
| SCHEMBL4586161 | 0.87 | PTGDR2 (0.34) | CISD1HDAC4ENPP2PTGDR2NR2E3 | |
| SCHEMBL4586168 | 0.87 | PTGDR2 (0.34) | CISD1HDAC4ENPP2PTGDR2NR2E3 | |
| SCHEMBL4586480 | 0.84 | IGF1R (0.37) | ALDH1A1MEN1KMT2ACISD1IGF1R | |
| Trifluoroacetic Acid SCHEMBL2991042 | 0.83 | EGFR (0.33) | CISD1HDAC4PTGDR2NR2E3MCHR1 | |
| Trifluoroacetic Acid SCHEMBL2991046 | 0.83 | EGFR (0.33) | CISD1HDAC4PTGDR2NR2E3MCHR1 | |
| SCHEMBL2988362 | 0.83 | FABP3 (0.39) | ALDH1A1MEN1KMT2ACISD1IGF1R | |
| SCHEMBL2996479 | 0.81 | DYRK3 (0.42) | ALDH1A1MEN1KMT2ACISD1IGF1R |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879563-A4 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-07-16 | — | — | EP | claimed |
| EP-1879563-A2 | NOVEL CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-01-23 | — | — | EP | claimed |
| WO-2006132739-A2 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | claimed |