Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8169355 | 0.82 | CYP1A2 (0.36) | CYP1A2SIGMAR1 | |
| SCHEMBL6077957 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL6524230 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL1524766 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL11407095 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL2573209 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL5617552 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL60655 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL6518887 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 | |
| SCHEMBL6516932 | 0.78 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1658267-B1 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2009-10-14 | — | — | EP | claimed |