Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PPM1B | O75688 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8894790 | 1.00 | ALDH1A1 (0.52) | ALDH1A1NPC1POLBCES2GAA | |
| SCHEMBL5743648 | 0.89 | ALDH1A1 (0.49) | ALDH1A1NPC1POLBCES2GAA | |
| SCHEMBL10436773 | 0.86 | POLB (0.56) | ALDH1A1NPC1POLBCES2GAA | |
| SCHEMBL5746096 | 0.86 | ALDH1A1 (0.47) | ALDH1A1NPC1POLBCES2GAA | |
| SCHEMBL5747023 | 0.86 | ALDH1A1 (0.47) | ALDH1A1NPC1POLBCES2GAA | |
| SCHEMBL6062779 | 0.81 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2301940 | 0.81 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL1171777 | 0.81 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2493185 | 0.80 | ALDH1A1 (0.52) | ALDH1A1NPC1POLBCES2GAA | |
| SCHEMBL6933031 | 0.80 | ALDH1A1 (0.52) | ALDH1A1NPC1POLBCES2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5594153-A | REACTING 6-HALO-3,5-DIHYDROXYHEXANOIC ACID OR DERIVATIVE THEREOF WITH DIETHER, KETONE OR UNSATURATED ETHER TO FORM 1,3-DIOXANE DERIVATIVE | E. R. SQUIBB & SONS, INC. (US) | 1997-01-14 | — | — | US | disclosed |
| US-5457227-A | Condensing halo-substituted hydroxy ester with acetic acid, acetate salt or ester in presence of condensation agent to produce halo-substituted hydroxy keto ester | E. R. SQUIBB & SONS, INC. (US) | 1995-10-10 | — | — | US | disclosed |
| US-5278313-A | Chemical condensation reaction | E. R. SQUIBB & SONS, INC. (US) | 1994-01-11 | — | — | US | disclosed |