Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL22772142 | 1.00 | CCR5 (0.49) | CCR5HCRTR1HCRTR2PDE2AKCNH2 | |
| SCHEMBL13618525 | 0.83 | ALDH1A1 (0.62) | ALDH1A1 | |
| SCHEMBL11717909 | 0.79 | HTT (0.56) | CCR5HCRTR1HCRTR2KCNH2ALDH1A1 | |
| SCHEMBL21163652 | 0.78 | CA12 (0.59) | PDE2AALDH1A1RAB9A | |
| SCHEMBL14220733 | 0.77 | HTT (0.63) | — | |
| SCHEMBL22735405 | 0.77 | HTT (0.63) | — | |
| SCHEMBL12217970 | 0.76 | HSP90AA1 (0.58) | ALDH1A1RAB9A | |
| SCHEMBL7060214 | 0.76 | RAB9A (0.39) | CCR5ALDH1A1RAB9A | |
| SCHEMBL12217938 | 0.76 | HSP90AA1 (0.58) | ALDH1A1RAB9A | |
| SCHEMBL4159647 | 0.75 | LMNA (0.61) | CCR5ALDH1A1 |
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-3594202-B1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-08-11 | — | — | EP | disclosed |