Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 8/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL7259681 | 0.86 | TAAR1 (0.47) | TAAR1SLC6A2ESR1ESR2GRIN2D | |
| SCHEMBL3794637 | 0.84 | CYP2C9 (0.42) | CYP2C9TSHR | |
| SCHEMBL5704664 | 0.82 | TRPA1 (0.53) | TAAR1SLC6A2GRIN2DGRIN3BADRA1D | |
| SCHEMBL7254097 | 0.81 | ESR1 (0.46) | TAAR1SLC6A2ESR1ESR2CA2 | |
| SCHEMBL9260666 | 0.79 | TAAR1 (0.56) | TAAR1SLC6A2ESR1ESR2CYP2C9 | |
| SCHEMBL29268616 | 0.78 | ALDH1A1 (0.38) | GRIN2DGRIN3BADRA1DADRA1AADRA1B | |
| SCHEMBL14307604 | 0.78 | ESR1 (0.45) | TAAR1SLC6A2ESR1ESR2GRIN2D | |
| SCHEMBL14285183 | 0.77 | ESR1 (0.51) | TAAR1SLC6A2ESR1ESR2GRIN2D | |
| SCHEMBL14285168 | 0.77 | ESR1 (0.51) | TAAR1SLC6A2ESR1ESR2GRIN2D | |
| SCHEMBL1840026 | 0.75 | TAAR1 (0.57) | TAAR1SLC6A2ESR1ESR2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003008362-A1 | NOVEL 3-ARYL-2-HYDROXY PROPANOL DERIVATIVES AND A PROCESS FOR THEIR PREPARATION | DR. REDDY'S LABORATORIES LTD (IN) | 2003-01-30 | — | — | WO | claimed |
| WO-2003008362-A1 | NOVEL 3-ARYL-2-HYDROXY PROPANOL DERIVATIVES AND A PROCESS FOR THEIR PREPARATION | DR. REDDY'S LABORATORIES LTD (IN) | 2003-01-30 | — | — | WO | disclosed |