Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PPIA | P62937 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | FSHR | P23945 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL1117763 | 0.89 | ADORA2A (0.36) | ADORA2AADORA1PPIARORCTLR2 | |
| SCHEMBL1117837 | 0.83 | CTSB (0.36) | ADORA2AADORA1PPIATSHRFSHR | |
| SCHEMBL9901321 | 0.82 | SMN1; SMN2 (0.35) | ADORA2AADORA1PPIARORCTSHR | |
| SCHEMBL1117758 | 0.81 | ADORA2A (0.32) | ADORA2AADORA1PPIARORCAAK1 | |
| SCHEMBL5532804 | 0.81 | HDAC1 (0.43) | CYP1A2NPC1RAB9AENPP2 | |
| SCHEMBL52518 | 0.77 | RNASEH1 (0.39) | ADORA2AADORA1TLR2CTSKNPC1 | |
| SCHEMBL63767 | 0.77 | RNASEH1 (0.39) | ADORA2AADORA1TLR2CTSKNPC1 | |
| SCHEMBL52519 | 0.77 | RNASEH1 (0.39) | ADORA2AADORA1TLR2CTSKNPC1 | |
| SCHEMBL52517 | 0.77 | RNASEH1 (0.39) | ADORA2AADORA1TLR2CTSKNPC1 | |
| SCHEMBL87027 | 0.76 | NPC1 (0.36) | ADORA2AADORA1RORCCTSKCYP1A2 |
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-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |