Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | STAT1 | P42224 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4455522 | 1.00 | NPC1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL4452874 | 0.89 | ADORA1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL4452888 | 0.89 | ADORA1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL4456002 | 0.86 | NPC1 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL4456005 | 0.86 | NPC1 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL23273787 | 0.77 | NPC1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL1595124 | 0.76 | ELANE (0.57) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 | |
| SCHEMBL4453327 | 0.76 | ELANE (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL4453330 | 0.76 | ELANE (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2GAA | |
| SCHEMBL4459671 | 0.73 | CSNK1D (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2ADORA1 |
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 |