Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL311815 | 0.92 | CASP3 (0.36) | ADRB2ADRB1ADRB3CASP1ELANE | |
| SCHEMBL7472403 | 0.86 | CASP1 (0.46) | CASP1 | |
| SCHEMBL311567 | 0.77 | CASP3 (0.50) | CASP1ELANE | |
| SCHEMBL10201581 | 0.70 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CASP1KDM4E | |
| SCHEMBL311493 | 0.68 | ELANE (0.39) | CASP1ELANE | |
| SCHEMBL311492 | 0.68 | ELANE (0.39) | CASP1ELANE | |
| SCHEMBL311790 | 0.67 | CASP3 (0.62) | CASP1 | |
| SCHEMBL10044272 | 0.67 | CASP3 (0.62) | CASP1 | |
| SCHEMBL87567 | 0.66 | DDR1 (0.31) | CASP1 | |
| SCHEMBL3908876 | 0.65 | SYK (0.45) | CASP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244626-A2 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001042216-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-06-14 | — | — | WO | disclosed |