Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14435622 | 0.77 | ADRB2 (0.52) | ADRB2AOC3TSHRHIF1AMAPK1 | |
| SCHEMBL9874672 | 0.77 | ADRB2 (0.52) | ADRB2AOC3TSHRHIF1AMAPK1 | |
| SCHEMBL9814876 | 0.76 | CHRNA7 (0.64) | TSHRTDP1CYP19A1CHRNA7 | |
| SCHEMBL301685 | 0.74 | ESR1 (0.52) | TSHRHIF1ATDP1LMNAHPGD | |
| SCHEMBL7028499 | 0.74 | PYCR1 (0.47) | HIF1ALMNAHPGDCYP2A6CYP2C9 | |
| SCHEMBL7034514 | 0.73 | CHRNA7 (0.33) | CHRNA7 | |
| SCHEMBL516024 | 0.72 | HTR2A (0.50) | AOC3TSHRTDP1CYP2C9KDM4E | |
| SCHEMBL27667287 | 0.72 | ADRB2 (0.41) | ADRB2AOC3TSHRHIF1AMAPK1 | |
| SCHEMBL28761618 | 0.72 | AOC3 (0.44) | ADRB2AOC3TSHRHIF1AMAPK1 | |
| SCHEMBL19402470 | 0.72 | AOC3 (0.44) | ADRB2AOC3TSHRHIF1AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1070718-B1 | Method for Preparing Grignard Reagents and new Grignard Reagents | BAYER AG (DE) | 2003-03-05 | — | — | EP | disclosed |
| US-6296788-B1 | REACTING HALOGENATED ALDEHYDE WITH SECONDARY MONOAMINE TO FORM AMINAL; METALLIZATION WITH MAGNESIUM | BAYER AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |
| EP-1070718-A1 | Method for Preparing Grignard Reagents and new Grignard Reagents | Bayer Aktiengesellschaft (DE) | 2001-01-24 | — | — | EP | disclosed |