Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6693564 | 0.77 | CDK1 (0.37) | — | |
| SCHEMBL6685684 | 0.76 | KIF11 (0.39) | ALDH1A1POLBSMN1; SMN2PPARA | |
| SCHEMBL4795913 | 0.76 | CTSS (0.38) | ALDH1A1SMN1; SMN2METAP2EPHX1EPHX2 | |
| SCHEMBL6685923 | 0.75 | RAB9A (0.38) | POLBSMN1; SMN2EPHX1 | |
| SCHEMBL5409955 | 0.74 | EPHX2 (0.47) | ALDH1A1POLBEPHX1EPHX2 | |
| SCHEMBL6690542 | 0.73 | RORC (0.41) | ALDH1A1MEN1KMT2AEPHX1 | |
| SCHEMBL6688712 | 0.73 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5404160 | 0.72 | EPHX2 (0.46) | ALDH1A1POLBEPHX1EPHX2 | |
| SCHEMBL6690789 | 0.72 | NPC1 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6693570 | 0.72 | CA2 (0.44) | ALDH1A1POLBMEN1KMT2A |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |