Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | USP19 | O94966 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4465064 | 0.84 | CCR5 (0.53) | CCR5SMN1; SMN2NPC1RAB9AOPRD1 | |
| SCHEMBL4465069 | 0.84 | CCR5 (0.51) | CCR5SMN1; SMN2NPC1RAB9AOPRD1 | |
| SCHEMBL4461843 | 0.83 | CCR5 (0.60) | CCR5SMN1; SMN2NPC1RAB9AOPRD1 | |
| SCHEMBL5081558 | 0.83 | CCR5 (0.51) | CCR5SMN1; SMN2NPC1RAB9AOPRD1 | |
| SCHEMBL13597265 | 0.76 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9AHTTFAAH | |
| SCHEMBL13604578 | 0.76 | CCR5 (0.57) | CCR5 | |
| SCHEMBL4458368 | 0.72 | CCR5 (0.49) | CCR5SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL27012546 | 0.72 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL13519706 | 0.72 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9AHTTFAAH | |
| SCHEMBL13661148 | 0.71 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AHTTFAAH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332500-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2008-02-19 | — | — | US | disclosed |
| EP-1716156-A2 | CHEMOKINE CCR5 RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005075484-A2 | CHEMOKINE CCR5 RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-18 | — | — | WO | disclosed |