Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL6809754 | 0.83 | KDM4E (0.46) | CCR1CCR8TGFBR1GRM5NQO2 | |
| SCHEMBL11941822 | 0.81 | CDC7 (0.37) | CYP1A2NQO2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10155099 | 0.78 | KDM4E (0.56) | CYP1A2HSD17B10KDM4EALDH1A1MEN1 | |
| SCHEMBL6593684 | 0.77 | CYP1A2 (0.50) | CYP1A2NQO2KDM4EALDH1A1GRM2 | |
| SCHEMBL11941734 | 0.77 | CYP1A2 (0.38) | CCR1CCR8CYP1A2GRM5NQO2 | |
| SCHEMBL4173614 | 0.73 | CYP1A2 (0.50) | CYP1A2METAP2KDM4EALDH1A1KMT2A | |
| SCHEMBL15978468 | 0.73 | TRPA1 (0.41) | CYP1A2NQO2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL15824289 | 0.72 | CYP1A2 (0.63) | CCR1CCR8TGFBR1CYP1A2METAP2 | |
| SCHEMBL12424718 | 0.72 | CCR1 (0.47) | CCR1CCR8TGFBR1METAP2CYP3A4 | |
| SCHEMBL996497 | 0.71 | CCR1 (0.42) | CCR1CCR8TGFBR1CYP1A2GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153800-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-10 | — | — | US | disclosed |