Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | USP1 | O94782 | 1/20 | 0.30 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21654585 | 0.88 | RAB9A (0.34) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL21654635 | 0.85 | ESR1 (0.33) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL20030575 | 0.83 | METAP2 (0.33) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL21654517 | 0.82 | ESR1 (0.34) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL21654700 | 0.81 | RAB9A (0.42) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL21654582 | 0.80 | HPGD (0.34) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL21654576 | 0.79 | RAB9A (0.43) | NPC1HPGDRAB9ASMN1; SMN2ESR1 | |
| SCHEMBL21654633 | 0.79 | NPSR1 (0.43) | NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL21654782 | 0.79 | KMT2A (0.43) | NPC1HPGDRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL21654780 | 0.79 | PTK2 (0.43) | NPC1HPGDRAB9ASMN1; SMN2ESR1 |
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-2018062978-A1 | NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT | 재단법인 한국파스퇴르연구소 | 2018-04-05 | — | — | WO | disclosed |