Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 4/20 | 0.61 |
| ▸ | CCR1 | P32246 | 1/20 | 0.61 |
| ▸ | CCR5 | P51681 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | WDR5 | P61964 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14075413 | 0.92 | PTGDR2 (0.58) | CCR2CCR1CCR5CYP2C9PTGDR2 | |
| SCHEMBL14075412 | 0.92 | CCR2 (0.54) | CCR2CCR1CCR5CYP2C9PTGDR2 | |
| SCHEMBL14075411 | 0.88 | ALDH1A1 (0.56) | CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL3049477 | 0.82 | CCR2 (0.62) | CCR2CCR1CCR5ALDH1A1KDM4E | |
| SCHEMBL14311391 | 0.81 | CYP2C9 (0.60) | CCR2CCR1CCR5CYP2C9PTGDR2 | |
| SCHEMBL3050565 | 0.81 | CCR2 (0.64) | CCR2CCR1CCR5PTGDR2ALDH1A1 | |
| SCHEMBL2897956 | 0.80 | CCR1 (0.60) | CCR2CCR1CCR5CYP2C9PTGDR2 | |
| SCHEMBL3039982 | 0.78 | CCR2 (0.58) | CCR2CCR1CCR5CYP2C9KDM4E | |
| SCHEMBL4505489 | 0.78 | PTGDR2 (0.68) | CCR2CCR1CCR5PTGDR2ALDH1A1 | |
| SCHEMBL13816298 | 0.76 | PTGDR2 (0.59) | CCR2CCR1CCR5CYP2C9PTGDR2 |
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-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |