Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 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 | |
|---|---|---|---|---|
| SCHEMBL31339479 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL299775 | 0.70 | ALDH1A1 (0.54) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL3394308 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL5077077 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL12340927 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL2879537 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL5074604 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL701494 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL5077071 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA4CA5A | |
| SCHEMBL13814464 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CA1CA2CA4CA5A |
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-0986382-A4 | RAF KINASE INHIBITORS | BAYER AG (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0986382-A1 | RAF KINASE INHIBITORS | Bayer Corporation (US) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998052559-A1 | RAF KINASE INHIBITORS | BAYER CORPORATION (US) | 1998-11-26 | — | — | WO | disclosed |