Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.58 |
| ▸ | CES1 | P23141 | 6/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2915473 | 0.80 | CES2 (0.64) | CES2CES1RECQLHTTPKM | |
| SCHEMBL14664023 | 0.79 | CES2 (0.43) | CES2CES1RECQLHTTPKM | |
| SCHEMBL1671151 | 0.78 | CES2 (0.66) | CES2CES1HTTNPC1RAB9A | |
| SCHEMBL29658750 | 0.78 | CES2 (0.66) | CES2CES1HTTNPC1RAB9A | |
| SCHEMBL1671155 | 0.78 | CES2 (0.66) | CES2CES1HTTNPC1RAB9A | |
| SCHEMBL29658770 | 0.77 | CES2 (0.64) | CES2CES1RECQL | |
| SCHEMBL5348191 | 0.77 | CES2 (0.64) | CES2CES1RECQL | |
| SCHEMBL8595608 | 0.76 | CES2 (0.58) | CES2CES1RECQLHTTGAA | |
| SCHEMBL13545183 | 0.76 | CES2 (0.58) | CES2CES1RECQLHTTPKM | |
| SCHEMBL6400373 | 0.76 | CES2 (0.58) | CES2CES1RECQLHTTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |