Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 9/20 | 0.47 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CTSH | P09668 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304203 | 0.86 | CTSC (0.45) | CTSC | |
| SCHEMBL7277260 | 0.84 | CASP1 (0.41) | MEN1KMT2A | |
| SCHEMBL7277122 | 0.83 | CASP1 (0.51) | — | |
| SCHEMBL7303940 | 0.82 | CTSC (0.43) | CTSCCTSSCYP1A2CYP3A4CTSH | |
| SCHEMBL7286995 | 0.82 | CASP1 (0.40) | MEN1KMT2A | |
| SCHEMBL7285059 | 0.81 | CASP3 (0.44) | — | |
| SCHEMBL7304749 | 0.80 | CTSC (0.41) | CTSCCTSSCYP1A2CYP3A4CTSH | |
| SCHEMBL7304440 | 0.80 | F2 (0.38) | CTSCCYP1A2CYP3A4CTSHCYP2D6 | |
| SCHEMBL7414938 | 0.78 | KMT2A (0.35) | MEN1KMT2ALTA4H | |
| SCHEMBL7277381 | 0.77 | CASP1 (0.58) | — |
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-0547699-A1 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO. INC. (US) | 1993-06-23 | — | — | EP | disclosed |