Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.73 |
| ▸ | DHODH | Q02127 | 9/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1298127 | 0.86 | PARP1 (0.73) | PARP1DHODHKDM4EHPGD | |
| SCHEMBL871829 | 0.85 | PARP1 (1.00) | PARP1DHODH | |
| SCHEMBL7477535 | 0.82 | PARP1 (0.68) | PARP1DHODHKDM4E | |
| SCHEMBL1193115 | 0.81 | PARP1 (0.54) | PARP1DHODHKDM4EHPGD | |
| SCHEMBL14564598 | 0.81 | PARP1 (0.50) | PARP1DHODHKDM4EHPGD | |
| SCHEMBL16555253 | 0.81 | PARP1 (0.66) | PARP1DHODHKDM4EHPGD | |
| SCHEMBL6170661 | 0.80 | PARP1 (0.64) | PARP1DHODHKDM4E | |
| SCHEMBL7333705 | 0.79 | PARP1 (0.62) | PARP1DHODHKDM4EHPGD | |
| SCHEMBL17702653 | 0.78 | L3MBTL1 (0.51) | PARP1DHODHKDM4EHPGD | |
| SCHEMBL23395014 | 0.77 | DHODH (0.64) | PARP1DHODH |
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 |