Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7690273 | 1.00 | CCR5 (0.48) | CCR5NPC1RAB9AATMKMT2A | |
| SCHEMBL7874866 | 0.86 | CCR5 (0.58) | CCR5 | |
| SCHEMBL7681785 | 0.82 | CCR5 (0.50) | CCR5NPC1RAB9AATMPARP10 | |
| SCHEMBL7687718 | 0.82 | CCR5 (0.50) | CCR5NPC1RAB9AATMPARP10 | |
| SCHEMBL7869940 | 0.79 | CCR5 (0.70) | CCR5 | |
| SCHEMBL7689309 | 0.79 | CCR5 (0.49) | CCR5NPC1RAB9AATM | |
| SCHEMBL7689311 | 0.79 | CCR5 (0.49) | CCR5NPC1RAB9AATM | |
| SCHEMBL7870886 | 0.78 | CCR5 (0.67) | CCR5 | |
| SCHEMBL7869857 | 0.78 | CCR5 (0.56) | CCR5 | |
| SCHEMBL7681794 | 0.77 | CCR5 (0.67) | CCR5 |
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-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | claimed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | claimed |
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |