Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | XIAP | P98170 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 5/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 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 | |
|---|---|---|---|---|
| SCHEMBL4458679 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4465412 | 0.89 | ALDH1A1 (0.47) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4465417 | 0.89 | ALDH1A1 (0.47) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4466264 | 0.89 | KIF11 (0.45) | ALDH1A1MAPK1RAB9APKMKIF11 | |
| SCHEMBL4466274 | 0.89 | KIF11 (0.45) | ALDH1A1MAPK1RAB9APKMKIF11 | |
| SCHEMBL4462546 | 0.82 | ALOX5 (0.51) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4459465 | 0.80 | ALOX5 (0.56) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4459460 | 0.80 | ALOX5 (0.56) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4459625 | 0.78 | ALOX5 (0.54) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 | |
| SCHEMBL4459618 | 0.78 | ALOX5 (0.54) | ALDH1A1HSD17B10XIAPCYP1A2CYP2C9 |
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-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |