Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.50 |
| ▸ | RAB9A | P51151 | 10/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | SCD | O00767 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | STAT1 | P42224 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4458655 | 1.00 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL4456590 | 0.87 | ADORA1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL4454870 | 0.87 | ADORA1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL4457405 | 0.83 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL4457403 | 0.83 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL4469745 | 0.73 | ADORA1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL3463393 | 0.72 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL11105682 | 0.72 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL383067 | 0.72 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 | |
| SCHEMBL383066 | 0.72 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | claimed |
| WO-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |
| WO-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |