Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL10936988 | 0.83 | SIGMAR1 (0.39) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Methylamine SCHEMBL10938312 | 0.83 | SIGMAR1 (0.39) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL9768694 | 0.82 | SIGMAR1 (0.55) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Methylamine SCHEMBL10936151 | 0.79 | ADRB2 (0.40) | CYP3A4SLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL12964253 | 0.79 | CYP3A4 (0.68) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL172559 | 0.79 | CYP3A4 (0.68) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL12964248 | 0.79 | CYP3A4 (0.68) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Ammonia Solution, Strong SCHEMBL17257941 | 0.77 | CYP3A4 (0.66) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL27701535 | 0.77 | KMT2A (0.69) | CYP3A4CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL10939302 | 0.77 | SIGMAR1 (0.46) | CYP3A4CHRM2HTR1AADRA2AADORA3 |
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-4500452-A | NOT SUBJECT TO ENZYME DEACTIVATION | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1985-02-19 | — | — | US | disclosed |
| US-4472304-A | CARCINOSTATIC | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1984-09-18 | — | — | US | disclosed |