Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | GPR183 | P32249 | 15/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2902877 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATP53GPR183NPC1 | |
| SCHEMBL2904959 | 0.89 | GPR183 (0.45) | ALDH1A1LMNATP53GPR183KMT2A | |
| SCHEMBL2905291 | 0.89 | GAA (0.57) | ALDH1A1LMNATP53GPR183NPC1 | |
| SCHEMBL2904962 | 0.89 | GPR183 (0.45) | ALDH1A1LMNATP53GPR183KMT2A | |
| SCHEMBL2905287 | 0.89 | GAA (0.57) | ALDH1A1LMNATP53GPR183NPC1 | |
| SCHEMBL2904853 | 0.89 | MEN1 (0.58) | ALDH1A1LMNAGPR183NPC1RAB9A | |
| SCHEMBL2904849 | 0.89 | MEN1 (0.58) | ALDH1A1LMNAGPR183NPC1RAB9A | |
| SCHEMBL2899736 | 0.88 | GPR183 (0.51) | ALDH1A1LMNATP53GPR183NPC1 | |
| SCHEMBL2899738 | 0.88 | GPR183 (0.51) | ALDH1A1LMNATP53GPR183NPC1 | |
| SCHEMBL2898840 | 0.87 | L3MBTL1 (0.53) | ALDH1A1LMNATP53GPR183NPC1 |
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-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |