Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | IL1B | P01584 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL646079 | 0.92 | CASP1 (0.52) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL8642883 | 0.91 | CASP1 (0.55) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL8646616 | 0.87 | CASP1 (0.52) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL8642746 | 0.85 | POLB (0.46) | CASP1POLBRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL8649730 | 0.85 | CASP1 (0.52) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL8643409 | 0.82 | CASP1 (0.55) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL27473870 | 0.81 | AKR1C3 (0.44) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL8645247 | 0.79 | KDM4E (0.53) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL950528 | 0.77 | CASP1 (0.70) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL949344 | 0.77 | CASP1 (0.60) | CASP1KDM4EPOLBRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5847135-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-08 | — | — | US | disclosed |
| US-5716929-A | THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1998-02-10 | — | — | US | disclosed |