Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5274794 | 0.92 | GAA (0.52) | GAAESR1ESR2GABBR2GABBR1 | |
| SCHEMBL3873634 | 0.89 | GAA (0.47) | GAAESR1ESR2GABBR2GABBR1 | |
| SCHEMBL7647516 | 0.80 | ESR1 (0.41) | GAAESR1ESR2CYP2C9KMT2A | |
| SCHEMBL3652899 | 0.78 | GAA (0.49) | GAAGABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL11225638 | 0.78 | FFAR1 (0.56) | GAA | |
| SCHEMBL3654833 | 0.78 | GAA (0.49) | GAAGABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL4238026 | 0.77 | ESR1 (0.40) | GAAESR1ESR2CYP2C9KMT2A | |
| SCHEMBL6260738 | 0.77 | ESR1 (0.48) | GAAESR1ESR2TDP1TP53 | |
| SCHEMBL16249736 | 0.76 | GABBR2 (0.61) | GAAGABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL2502889 | 0.76 | TRPA1 (0.46) | GAAESR1ESR2GABBR2GABBR1 |
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-4345096-A | 3-/P-OXYPHENYLALKYL/GLUTARIC ACID | E. R. SQUIBB & SONS, INC. (US) | 1982-08-17 | — | — | US | disclosed |
| US-4230621-A | TRACERS, HYDROXYPHENYLGLUTARIC ACID DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1980-10-28 | — | — | US | disclosed |
| US-4221725-A | CHEMICAL INTERMEDIATE | E. R. SQUIBB & SONS, INC. (US) | 1980-09-09 | — | — | US | disclosed |