Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 13/20 | 0.74 |
| ▸ | NPC1 | O15118 | 12/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.74 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.71 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.67 |
| ▸ | RELA | Q04206 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | STAT1 | P42224 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 5/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.64 |
| ▸ | SCD | O00767 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL11711060 | 0.88 | NPC1 (0.64) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL13214814 | 0.86 | NPC1 (0.62) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL8689148 | 0.85 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL6643291 | 0.85 | NPC1 (0.67) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL3283083 | 0.83 | DYRK1A (1.00) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL1944598 | 0.83 | KMT2A (0.72) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL27634788 | 0.83 | NPC1 (0.84) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL32674581 | 0.83 | NPC1 (0.84) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL9332929 | 0.82 | ALDH1A1 (1.00) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A | |
| SCHEMBL5211562 | 0.81 | ADORA1 (0.73) | RAB9ANPC1SMN1; SMN2ADORA1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-7161033-B2 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2007-01-09 | — | — | US | disclosed |