Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11252949 | 1.00 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL11266939 | 0.80 | ATM (0.52) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL1557964 | 0.79 | ALDH1A1 (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL8954874 | 0.79 | ALDH1A1 (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL13541256 | 0.79 | ALDH1A1 (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL16826935 | 0.79 | ALDH1A1 (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL4382224 | 0.79 | ALDH1A1 (0.40) | ALDH1A1HPGDHCAR2NPSR1MAPT | |
| SCHEMBL310458 | 0.79 | ALDH1A1 (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL7459283 | 0.79 | ATM (0.47) | ATMALDH1A1TSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28113623 | 0.78 | ALDH1A1 (0.64) | ATMALDH1A1TSHRHPGDHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |