Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | PNP | P00491 | 2/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13544496 | 0.86 | PARP1 (0.45) | PARP1HRH4PNPCDK5CDK5R1 | |
| SCHEMBL13544691 | 0.83 | PARP1 (0.45) | PARP1HRH4PKMRXFP1EGLN1 | |
| SCHEMBL17276023 | 0.74 | HRH4 (0.42) | HRH4PNPCDK5CDK5R1EGLN1 | |
| SCHEMBL17276081 | 0.71 | NUDT1 (0.49) | PNPCDK5CDK5R1MAPTNPSR1 | |
| SCHEMBL13544692 | 0.71 | PARP1 (0.41) | PARP1PKMRXFP1EGLN1 | |
| SCHEMBL1193115 | 0.71 | PARP1 (0.54) | PARP1NUDT1 | |
| SCHEMBL13544493 | 0.70 | PARP1 (0.45) | PARP1HRH4EGLN1 | |
| SCHEMBL24112331 | 0.70 | PKMYT1 (0.38) | PARP1PNPCDK5CDK5R1 | |
| SCHEMBL1202101 | 0.70 | CA12 (0.45) | PARP1PNPCDK5CDK5R1PKM | |
| SCHEMBL24112448 | 0.69 | NUDT1 (0.40) | PNPCDK5CDK5R1ALOX15KCNH2 |
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 2 patents. 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 |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |