Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11487623 | 0.87 | LTA4H (0.50) | HTTTSHRCHRM1HRH3CHRM2 | |
| SCHEMBL11488903 | 0.86 | CYP2D6 (0.46) | CHRM1CHRM2HTR1ADRD1OPRM1 | |
| SCHEMBL11496251 | 0.85 | KMT2A (0.50) | HTTTSHRHRH3HTR1AKCNH2 | |
| SCHEMBL11494176 | 0.85 | CHRM2 (0.50) | HTTTSHRCHRM1HRH3CHRM2 | |
| SCHEMBL11485688 | 0.85 | CHRM2 (0.50) | HTTTSHRCHRM1HRH3CHRM2 | |
| SCHEMBL11495755 | 0.85 | PSMB1 (0.41) | TSHRHRH3ALDH1A1HRH4PSMB1 | |
| SCHEMBL11486937 | 0.85 | ALDH1A1 (0.47) | HRH3ALDH1A1MCHR1HRH4PSMB1 | |
| SCHEMBL11487389 | 0.84 | CHRM2 (0.48) | HTTTSHRCHRM1HRH3CHRM2 | |
| SCHEMBL11496128 | 0.83 | CHRM2 (0.49) | CHRM1HRH3CHRM2HTR1AADRA2A | |
| SCHEMBL14354524 | 0.79 | CHRM2 (0.56) | CHRM1CHRM2HTR1ADRD1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |