Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5862223 | 0.85 | CYP2C19 (0.54) | CTSSCTSKCYP2C19HIF1AKCNN4 | |
| SCHEMBL1573515 | 0.85 | CYP2C19 (0.54) | CTSSCTSKCYP2C19HIF1AKCNN4 | |
| SCHEMBL31477659 | 0.85 | CYP2C19 (0.54) | CTSSCTSKCYP2C19HIF1AKCNN4 | |
| SCHEMBL5969759 | 0.81 | HDAC3 (0.46) | CTSSCTSKKCNN4ALDH1A1NPSR1 | |
| SCHEMBL6245821 | 0.79 | CTSS (0.41) | CTSSCTSKKCNN4ALDH1A1NPSR1 | |
| SCHEMBL6509929 | 0.77 | KCNN4 (0.42) | CTSSCTSKKCNN4ALDH1A1NPSR1 | |
| SCHEMBL3710918 | 0.77 | CTSS (0.41) | CTSSCTSKKCNN4ALDH1A1NPSR1 | |
| SCHEMBL5862815 | 0.76 | MIF (0.49) | CYP2C19HIF1ACTSAALDH1A1PPARG | |
| SCHEMBL4044110 | 0.76 | CYP2C19 (0.46) | CTSSCTSKCYP2C19HIF1AKCNN4 | |
| SCHEMBL6513375 | 0.76 | HIF1A (0.39) | CYP2C19HIF1ACTSAMAPK1AKT1 |
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-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| EP-1013276-A1 | Aminoazacycloalkanes as CCR5 modulators | PFIZER INC. (US) | 2000-06-28 | — | — | EP | disclosed |