Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSL | P07711 | 3/20 | 0.44 |
| ▸ | CTSB | P07858 | 3/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28614724 | 0.82 | MCL1 (0.51) | MCL1CASP3UTS2R | |
| SCHEMBL28603794 | 0.82 | MCL1 (0.51) | MCL1CASP3UTS2R | |
| SCHEMBL28919836 | 0.81 | IMPDH2 (0.56) | CTSLCTSBCTSK | |
| SCHEMBL451232 | 0.81 | MTNR1A (0.42) | CTSSCTSBCTSK | |
| SCHEMBL28601403 | 0.80 | MCL1 (0.49) | MCL1CTSSCTSLCTSBCTSK | |
| SCHEMBL27549418 | 0.78 | OPRM1 (0.46) | RIPK1 | |
| SCHEMBL19509288 | 0.77 | RAB9A (0.51) | RIPK1CASP3 | |
| SCHEMBL28600675 | 0.77 | MCL1 (0.48) | MCL1CASP3 | |
| SCHEMBL28600679 | 0.76 | MCL1 (0.50) | MCL1CASP3 | |
| SCHEMBL20354607 | 0.74 | KMT2A (0.53) | CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1964561-A1 | Inhibitors of IMPDH enzyme | Vertex Pharmaceuticals Incorporated (US) | 2008-09-03 | — | — | EP | disclosed |