Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL26185573 | 0.89 | NPC1 (0.43) | NPC1RAB9ALMNAFASNPOLB | |
| SCHEMBL29700417 | 0.89 | NPC1 (0.43) | NPC1RAB9ALMNAFASNPOLB | |
| SCHEMBL24473916 | 0.80 | FASN (0.45) | FASNPOLBGAA | |
| SCHEMBL26567801 | 0.79 | FASN (0.37) | LMNAFASNMAPTHTTLIPG | |
| SCHEMBL24479060 | 0.79 | NPC1 (0.47) | NPC1RAB9ALMNAPOLBMAPT | |
| SCHEMBL27453607 | 0.77 | KMT2A (0.44) | NPC1RAB9ALMNAPOLBMAPT | |
| SCHEMBL27453610 | 0.77 | KMT2A (0.44) | NPC1RAB9ALMNAPOLBMAPT | |
| SCHEMBL24478841 | 0.76 | NPC1 (0.44) | NPC1RAB9ALMNAPOLBMAPT | |
| SCHEMBL24478818 | 0.73 | NPC1 (0.51) | NPC1RAB9ALMNAPOLBMAPT | |
| SCHEMBL24478918 | 0.72 | NPC1 (0.44) | NPC1RAB9ALMNAPOLBMAPT |
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-2022112188-A1 | SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-02 | — | — | WO | disclosed |