Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1117837 | 0.89 | CTSB (0.36) | SMN1; SMN2 | |
| SCHEMBL5533578 | 0.87 | HDAC1 (0.40) | HDAC1HDAC6HDAC3HDAC2OPRD1 | |
| SCHEMBL1117763 | 0.85 | ADORA2A (0.36) | — | |
| SCHEMBL9901321 | 0.85 | SMN1; SMN2 (0.35) | MEN1KMT2ASMN1; SMN2KDM1ACYP2C19 | |
| SCHEMBL5534382 | 0.82 | OPRD1 (0.40) | HDAC1HDAC6HDAC3HDAC2OPRD1 | |
| SCHEMBL5528302 | 0.82 | ENPP2 (0.40) | HDAC1HDAC6HDAC3HDAC2OPRD1 | |
| SCHEMBL5527354 | 0.81 | OPRK1 (0.39) | HDAC1HDAC6HDAC3HDAC2OPRD1 | |
| SCHEMBL9900834 | 0.81 | LMNA (0.37) | MEN1KMT2ASMN1; SMN2HTT | |
| SCHEMBL1117832 | 0.81 | ADORA2A (0.35) | ENPP2NPC1RAB9ACYP1A2 | |
| SCHEMBL5538682 | 0.81 | ADORA2B (0.40) | HDAC1HDAC6HDAC3HDAC2OPRD1 |
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 |