Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17816170 | 1.00 | NPC1 (0.46) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17784057 | 0.93 | NPC1 (0.49) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17792186 | 0.93 | NPC1 (0.49) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17784055 | 0.93 | NPC1 (0.49) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17795673 | 0.93 | NPC1 (0.49) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17792136 | 0.86 | NPC1 (0.47) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17792135 | 0.84 | NPC1 (0.45) | NPC1RAB9ACHRM1TSHRMAOB | |
| SCHEMBL17816163 | 0.83 | NPC1 (0.44) | NPC1RAB9ACHRM1MAOBMAOA | |
| SCHEMBL17816177 | 0.83 | NPC1 (0.47) | NPC1RAB9ACHRM1MAOBMAOA | |
| SCHEMBL17816165 | 0.82 | NPC1 (0.47) | NPC1RAB9ACHRM1MAOBMAOA |
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-2016089990-A1 | SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT | NOVIRA THERAPEUTICS, INC. (US) | 2016-06-09 | — | — | WO | disclosed |