Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5848037 | 0.71 | — | — | |
| Abametapir SCHEMBL351152 | 0.69 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| Abametapir SCHEMBL29374261 | 0.69 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL18849413 | 0.68 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL8517242 | 0.68 | — | — | |
| SCHEMBL5704894 | 0.68 | KDM4A (0.37) | METAP2RAB9AMAPT | |
| SCHEMBL4590581 | 0.68 | NPC1 (0.42) | CYP3A4RAB9AMAPTPTGS2 | |
| SCHEMBL22224024 | 0.67 | CCR1 (0.48) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL8939186 | 0.66 | — | — | |
| SCHEMBL14804379 | 0.65 | CCR1 (0.89) | CCR1CCR5CCR8HDAC6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0482024-A1 | CHIRAL OR ACHIRAL RING COMPOUNDS. | MERCK PATENT GMBH (DE) | 1992-04-29 | — | — | EP | disclosed |