Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.47 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | POLA1 | P09884 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27951935 | 0.98 | ALDH1A1 (0.71) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| SCHEMBL28183155 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| SCHEMBL27294566 | 0.90 | ALDH1A1 (0.56) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| SCHEMBL21405688 | 0.90 | ALDH1A1 (0.56) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| SCHEMBL7535600 | 0.89 | TSHR (0.86) | ALDH1A1TSHREPHX1CES2THRB | |
| SCHEMBL9299625 | 0.89 | TSHR (0.86) | ALDH1A1TSHREPHX1CES2THRB | |
| SCHEMBL18221812 | 0.89 | TSHR (0.86) | ALDH1A1TSHREPHX1CES2THRB | |
| SCHEMBL2060012 | 0.89 | TSHR (0.86) | ALDH1A1TSHREPHX1CES2THRB | |
| Bromide SCHEMBL8730937 | 0.89 | ALDH1A1 (0.54) | ALDH1A1TSHREPHX1ZDHHC7CES2 | |
| SCHEMBL7089029 | 0.89 | TSHR (0.86) | ALDH1A1TSHREPHX1CES2THRB |
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-6084127-A | CONTACTING AN ACRYLIC ACID-CONTAINING GAS OBTAINED UPON GAS-PHASE CATALYTIC OXIDATION OF PROPYLENE AND/OR ACROLEIN WITH WATER, AZEOTROPIC DISTILLATION OF RESULTING AQUEOUS SOLUTION TO SEPARATE ACRYLIC ACID FROM ACETIC ACID | NIPPON SHOKUBAI CO LTD (JP) | 2000-07-04 | — | — | US | disclosed |