Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.39 |
| ▸ | CTSL | P07711 | 4/20 | 0.39 |
| ▸ | CTSB | P07858 | 3/20 | 0.39 |
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | CPB1 | P15086 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13657353 | 0.86 | RORC (0.38) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL87252 | 0.82 | CTSS (0.43) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL51559 | 0.81 | CTSS (0.38) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL13657354 | 0.80 | RORC (0.37) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL63524 | 0.75 | CTSS (0.37) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL13691697 | 0.75 | CTSS (0.37) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL1117846 | 0.75 | CTSS (0.39) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL1117844 | 0.75 | CTSS (0.39) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL87300 | 0.74 | CTSS (0.35) | CTSSCTSLCTSBRORCTLR2 | |
| SCHEMBL13691441 | 0.73 | TSHR (0.46) | CTSSCTSLCTSBCPB1SMN1; SMN2 |
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-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |