Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 13/20 | 0.40 |
| ▸ | ELANE | P08246 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12946568 | 1.00 | CASP3 (0.42) | CASP3CTSSELANECYP3A4CYP2C9 | |
| SCHEMBL14370015 | 0.90 | CASP3 (0.43) | CASP3CTSSELANECYP3A4CYP2C9 | |
| SCHEMBL14370039 | 0.81 | ELANE (0.51) | CASP3ELANE | |
| SCHEMBL952481 | 0.81 | ELANE (0.51) | CASP3ELANE | |
| SCHEMBL950389 | 0.81 | ELANE (0.51) | CASP3ELANE | |
| SCHEMBL14399463 | 0.79 | BACE1 (0.39) | RAB9A | |
| Hydrochloric Acid SCHEMBL5664499 | 0.78 | ELANE (0.45) | CTSSELANECYP3A4CYP2C9KDM4E | |
| SCHEMBL5551876 | 0.73 | FAAH (0.41) | KDM4ERAB9AGLO1 | |
| SCHEMBL5614017 | 0.72 | MAOB (0.41) | CASP3RAB9A | |
| Hydrochloric Acid SCHEMBL5664505 | 0.72 | FAAH (0.40) | KDM4ERAB9AGLO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7288624-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-30 | — | — | US | disclosed |