Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 3/20 | 0.49 |
| ▸ | PREP | P48147 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14313605 | 0.83 | CASP3 (0.50) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL4417131 | 0.80 | CASP3 (0.53) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL3751193 | 0.79 | PREP (0.48) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL3252082 | 0.79 | PREP (0.48) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL3252081 | 0.79 | PREP (0.48) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL3751199 | 0.79 | PREP (0.48) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL14601914 | 0.78 | CTSK (0.54) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL13043801 | 0.78 | CTSK (0.54) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL3625795 | 0.78 | PREP (0.46) | ALDH1A1GAACASP1PREPCASP3 | |
| SCHEMBL2344340 | 0.78 | PREP (0.46) | ALDH1A1GAACASP1PREPCASP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008014381-A2 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |