Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | FES | P07332 | 1/20 | 0.52 |
| ▸ | RET | P07949 | 1/20 | 0.52 |
| ▸ | MARK3 | P27448 | 1/20 | 0.52 |
| ▸ | TYK2 | P29597 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 1/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | CLK2 | P49760 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16330242 | 0.88 | ALDH1A1 (0.55) | ALDH1A1LMNAFESRETMARK3 | |
| SCHEMBL15219756 | 0.86 | ALDH1A1 (0.54) | ALDH1A1LMNAFESRETMARK3 | |
| SCHEMBL12401273 | 0.86 | SMN1; SMN2 (0.54) | ALDH1A1LMNAFESRETMARK3 | |
| SCHEMBL12467373 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAFESRETMARK3 | |
| SCHEMBL24568673 | 0.82 | ALDH1A1 (0.62) | ALDH1A1FESRETMARK3TYK2 | |
| SCHEMBL6446176 | 0.81 | ALDH1A1 (0.65) | ALDH1A1FESRETMARK3TYK2 | |
| SCHEMBL6446181 | 0.81 | ALDH1A1 (0.65) | ALDH1A1FESRETMARK3TYK2 | |
| SCHEMBL12330389 | 0.80 | CYP3A4 (0.52) | ALDH1A1LMNAKMT2AHTTMAPT | |
| SCHEMBL8138881 | 0.78 | ANPEP (0.58) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL9130703 | 0.77 | FES (0.81) | ALDH1A1FESRETMARK3TYK2 |
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-2008106058-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-04 | — | — | WO | disclosed |