Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27620736 | 0.83 | ALDH1A1 (0.35) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL27597829 | 0.83 | ALDH1A1 (0.35) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL27702946 | 0.83 | ALDH1A1 (0.35) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL27976006 | 0.82 | ALDH1A1 (0.34) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL17556629 | 0.75 | CES1 (0.41) | ALDH1A1TSHRNPC1RAB9AMEN1 | |
| SCHEMBL11139096 | 0.74 | ELANE (0.40) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL2164754 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL28549606 | 0.70 | PBRM1 (0.43) | ALDH1A1NPC1RAB9AELANEPTGS1 | |
| SCHEMBL28552569 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HPGDNPC1RAB9AMEN1 | |
| SCHEMBL11227122 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HPGDNPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101486631-A | Method for converting mercaptal or thioketal into corresponding aldehyde or ketone by deprotection | UNIV PLA 2ND MILITARY MEDICAL (CN) | 2009-07-22 | — | — | CN | disclosed |