Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30277756 | 0.78 | CASP1 (1.00) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL5899679 | 0.78 | CASP1 (0.72) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL5899792 | 0.78 | CASP1 (1.00) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL23675382 | 0.76 | ERCC1 (0.59) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL6357794 | 0.76 | TSHR (0.64) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL30100395 | 0.76 | ERCC1 (0.59) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL30277741 | 0.76 | CASP1 (0.75) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL6356112 | 0.74 | TSHR (0.58) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL5643784 | 0.73 | TSHR (0.60) | CASP1TSHREPHX2LMNAMAPK1 | |
| SCHEMBL8309693 | 0.73 | CA12 (0.44) | CASP1HPGDMAPTKDM4EALDH1A1 |
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-6624166-B1 | Pharmaceutical compositions containing the compounds; and a method for inhibiting interleukin-1 beta protease activity in a mammal utilizing the compounds and compositions for enzyme inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-23 | — | — | US | claimed |