Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4454829 | 1.00 | GAA (0.48) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL21047854 | 0.77 | NPC1 (0.50) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL4464078 | 0.77 | POLB (0.60) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL4464072 | 0.77 | POLB (0.60) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL119611 | 0.73 | NPC1 (0.58) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL16666128 | 0.73 | NPC1 (0.62) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL1821019 | 0.72 | NPC1 (0.64) | GAACYP1A2CYP2C19IDO1MEN1 | |
| SCHEMBL4451670 | 0.71 | OPRK1 (0.44) | GAAALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10974216 | 0.71 | ALDH1A1 (0.57) | MEN1KMT2AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL15228247 | 0.70 | IDO1 (0.54) | GAACYP1A2CYP2C19IDO1MEN1 |
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 2 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 |