Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 7/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 7/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3197917 | 0.88 | ALDH1A1 (0.71) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL2558255 | 0.88 | ALDH1A1 (0.71) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL2558257 | 0.88 | ALDH1A1 (0.71) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL381922 | 0.79 | ALDH1A1 (0.85) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL3948456 | 0.79 | ALDH1A1 (0.85) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL3948461 | 0.79 | ALDH1A1 (0.85) | ALDH1A1GAATSHREPHX1DPP4 | |
| Hydrochloric Acid SCHEMBL28135182 | 0.77 | ALDH1A1 (0.83) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL17499991 | 0.77 | ALDH1A1 (0.69) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL17499990 | 0.77 | ALDH1A1 (0.69) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL1441542 | 0.76 | ALDH1A1 (0.60) | ALDH1A1GAATSHREPHX1DPP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1499308-A2 | TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME | BIOGEN, INC. (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003087304-A2 | TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME | BIOGEN, INC. (US) | 2003-10-23 | — | — | WO | disclosed |