Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP5 | P45974 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24019686 | 0.80 | SMN1; SMN2 (0.34) | ALDH1A1PTGS2RAB9APOLB | |
| Benzene SCHEMBL8402044 | 0.80 | USP5 (0.40) | USP5KDM4EALDH1A1PTGS2FPR2 | |
| SCHEMBL949093 | 0.75 | PTGS2 (0.46) | USP5KDM4EALDH1A1PTGS2FPR2 | |
| SCHEMBL3005172 | 0.72 | PARP1 (0.51) | USP5KDM4EALDH1A1PTGS2HPGD | |
| SCHEMBL455007 | 0.70 | USP5 (0.40) | USP5KDM4EALDH1A1PTGS2FPR2 | |
| SCHEMBL30087060 | 0.69 | CRBN (0.46) | USP5ALDH1A1PTGS2POLB | |
| SCHEMBL31444926 | 0.69 | USP5 (0.56) | USP5KDM4EPTGS2GAACASP1 | |
| SCHEMBL312028 | 0.69 | USP5 (0.56) | USP5KDM4EPTGS2GAACASP1 | |
| SCHEMBL8694192 | 0.68 | KDM4E (0.50) | USP5KDM4EALDH1A1PTGS2KMT2A | |
| SCHEMBL24112194 | 0.66 | ATAD2 (0.40) | KDM4EALDH1A1PTGS2RAB9APOLB |
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 |