Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CCR8 | P51685 | 2/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 5/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7926339 | 0.76 | CCR1 (0.45) | CCR1CCR5CCR8CYP1A2NOS3 | |
| SCHEMBL28155629 | 0.74 | ALDH1A1 (0.50) | CCR1CCR5CCR8CYP1A2ELANE | |
| SCHEMBL28846255 | 0.73 | CCR1 (0.43) | CCR1CCR5CCR8HSD17B3CYP1A2 | |
| SCHEMBL12317670 | 0.72 | CCR1 (0.45) | CCR1CCR5CCR8CYP1A2NOS3 | |
| SCHEMBL20721715 | 0.69 | CCR1 (0.38) | CCR1CCR5CCR8CYP1A2NOS3 | |
| SCHEMBL14542479 | 0.68 | ABL1 (0.34) | HSD17B3MAOBCA12CA1CA2 | |
| SCHEMBL25748233 | 0.66 | HSD17B3 (0.45) | HSD17B3MAOBCA12CA1CA2 | |
| SCHEMBL14849034 | 0.66 | NPC1 (0.46) | CCR1CCR5CCR8CYP1A2MAOB | |
| SCHEMBL31558612 | 0.65 | MAOB (0.64) | HSD17B3MAOBCA12CA1CA2 | |
| SCHEMBL8344553 | 0.65 | MAOB (0.64) | HSD17B3MAOBCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |