Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | EZH2 | Q15910 | 5/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | EZH1 | Q92800 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824368 | 0.88 | CCR5 (0.42) | CCR5GPR119NFKB1NFKB2RELA | |
| SCHEMBL4973584 | 0.86 | PIK3CD (0.43) | PIK3CDCCR5USP2SMN1; SMN2CTSD | |
| SCHEMBL2585142 | 0.84 | PIK3CD (0.42) | PIK3CDUSP2SMN1; SMN2CTSDCTSL | |
| SCHEMBL891894 | 0.83 | PIK3CD (0.41) | PIK3CDUSP2SMN1; SMN2CTSDCTSL | |
| SCHEMBL10343966 | 0.82 | CCR5 (0.40) | CCR5GPR119NFKB1NFKB2RELA | |
| SCHEMBL4433311 | 0.82 | CCR5 (0.40) | CCR5GPR119NFKB1NFKB2RELA | |
| SCHEMBL15236488 | 0.82 | CCR5 (0.40) | CCR5GPR119NFKB1NFKB2RELA | |
| SCHEMBL13207042 | 0.82 | PIK3CD (0.40) | PIK3CDUSP2SMN1; SMN2CTSDCTSL | |
| SCHEMBL18919917 | 0.81 | PIK3CD (0.39) | PIK3CDUSP2SMN1; SMN2CTSDCTSL | |
| SCHEMBL4437801 | 0.81 | CCR5 (0.39) | CCR5GPR119NFKB1NFKB2RELA |
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-2017093938-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | VIIV HEALTHCARE UK LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |