Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 3/20 | 0.48 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12529736 | 1.00 | CASP1 (0.48) | CASP1CASP3CASP8SMN1; SMN2NPSR1 | |
| SCHEMBL12529803 | 0.88 | CASP1 (0.52) | CASP1CASP3CASP8NPSR1POLB | |
| SCHEMBL7464642 | 0.86 | CASP3 (0.49) | CASP1CASP3CASP8SMN1; SMN2NPSR1 | |
| SCHEMBL927372 | 0.77 | CASP1 (0.56) | CASP1CASP3CASP8SMN1; SMN2NPSR1 | |
| SCHEMBL12529733 | 0.75 | CASP3 (0.52) | CASP1CASP3CASP8POLBAPOBEC3A | |
| SCHEMBL5500750 | 0.71 | HCRTR1 (0.42) | CASP1CASP3CASP8POLBKLK5 | |
| SCHEMBL5500752 | 0.71 | HCRTR1 (0.42) | CASP1CASP3CASP8POLBKLK5 | |
| SCHEMBL8354504 | 0.70 | CASP3 (0.47) | CASP1CASP3CASP8HDAC6ALDH1A1 | |
| SCHEMBL12624640 | 0.69 | CASP1 (0.58) | CASP1CASP3CASP8SMN1; SMN2NPSR1 | |
| SCHEMBL5496996 | 0.69 | CTRB1 (0.52) | NPSR1KLK5LMNATSHRALDH1A1 |
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-1289993-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001094351-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-12-13 | — | — | WO | disclosed |