Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CPB1 | P15086 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | LGMN | Q99538 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9942885 | 0.76 | CTSS (0.38) | KDM1AMAOBRORCCPB1SMN1; SMN2 | |
| SCHEMBL51559 | 0.69 | CTSS (0.38) | ALDH1A1GAATSHRRORCCPB1 | |
| SCHEMBL13924823 | 0.68 | NR1H4 (0.49) | ALDH1A1LMNA | |
| SCHEMBL13657353 | 0.68 | RORC (0.38) | TSHRRORCCPB1SMN1; SMN2CTSL | |
| SCHEMBL5528333 | 0.68 | TLR2 (0.41) | RORCLGMNCTSL | |
| SCHEMBL63524 | 0.67 | CTSS (0.37) | ALDH1A1GAATSHRRORCCPB1 | |
| SCHEMBL13691697 | 0.67 | CTSS (0.37) | ALDH1A1GAATSHRRORCCPB1 | |
| SCHEMBL13657354 | 0.67 | RORC (0.37) | TSHRRORCCPB1SMN1; SMN2CTSL | |
| SCHEMBL62654 | 0.66 | CTSS (0.35) | TSHRRORCCPB1CTSL | |
| SCHEMBL13691437 | 0.66 | CTSS (0.35) | TSHRRORCCPB1CTSL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2649077-A1 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |