Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5528302 | 0.95 | ENPP2 (0.40) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL5534487 | 0.90 | ACACB (0.39) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL5527354 | 0.86 | OPRK1 (0.39) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL5532804 | 0.81 | HDAC1 (0.43) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL5534382 | 0.80 | OPRD1 (0.40) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL5536389 | 0.78 | ENPP2 (0.36) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL2080734 | 0.76 | ENPP2 (0.42) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL2081516 | 0.71 | ENPP2 (0.43) | ADORA2BENPP2ATXN2OPRD1OPRK1 | |
| SCHEMBL1117837 | 0.71 | CTSB (0.36) | SMN1; SMN2ADORA2A | |
| SCHEMBL5533578 | 0.69 | HDAC1 (0.40) | ADORA2BENPP2ATXN2OPRD1OPRK1 |
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-2007143446-A1 | SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-13 | — | — | WO | disclosed |