Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8486958 | 0.99 | ESR1 (0.38) | ESR1ESR2ADRA1AGRIN2BADRA1D | |
| SCHEMBL8482269 | 0.88 | GRIN2D (0.41) | ESR1ESR2ADRA1AGRIN2BADRA1D | |
| SCHEMBL8487882 | 0.80 | GRIN2D (0.37) | ADRA1AGRIN2BADRA1DADRA1BGRIN2D | |
| Hydrochloric Acid SCHEMBL8482025 | 0.79 | GRIN2D (0.36) | ADRA1AGRIN2BADRA1DADRA1BGRIN2D | |
| SCHEMBL27564167 | 0.72 | ESR1 (0.62) | ESR1ESR2SLC6A2LMNASLC6A3 | |
| SCHEMBL8570543 | 0.69 | EPHX1 (0.42) | SLC6A2OPRM1SLC6A3CYP2D6TSHR | |
| SCHEMBL5374718 | 0.68 | RAB9A (0.41) | ADRB2 | |
| SCHEMBL15288809 | 0.68 | ESR1 (0.56) | ESR1ESR2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL15288808 | 0.68 | ESR1 (0.56) | ESR1ESR2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9498596 | 0.68 | ESR1 (0.60) | ESR1ESR2SLC6A2TRPV1 |
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-5889026-A | 4-hydroxy-piperodine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1999-03-30 | — | — | US | disclosed |