Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL5153916 | 0.82 | AKT1 (0.50) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Benzophenone SCHEMBL1200240 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Acrylic Acid SCHEMBL28944247 | 0.80 | AKT1 (0.44) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Formaldehyde SCHEMBL28986972 | 0.78 | CES1 (0.52) | ALDH1A1TSHRTDP1CYP3A4CYP2C19 | |
| SCHEMBL21310 | 0.78 | CES1 (0.56) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL9105008 | 0.78 | CES1 (0.56) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Propane SCHEMBL28155921 | 0.76 | CES1 (0.50) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| SCHEMBL11500171 | 0.76 | CES1 (0.54) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Hydrogen Sulfide SCHEMBL11500168 | 0.76 | CES1 (0.54) | ALDH1A1TSHRMAPK1TDP1CYP3A4 | |
| Bicarbonate SCHEMBL4881468 | 0.76 | CES1 (0.54) | ALDH1A1TSHRMAPK1TDP1CYP3A4 |
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-5437902-A | Aqueous gel filler of a particular (meth)acrylamide derivative, a particulate metal oxide, an aqueous medium and an antifreeze | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-08-01 | — | — | US | disclosed |