Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 SCHEMBL10936653 | 0.83 | CYP3A4 (0.45) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| Methylamine SCHEMBL10938312 | 0.81 | SIGMAR1 (0.39) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL13911223 | 0.69 | SIGMAR1 (0.48) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL10764905 | 0.69 | SIGMAR1 (0.48) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL1118824 | 0.68 | MTOR (0.74) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| Methane SCHEMBL3957153 | 0.67 | SIGMAR1 (0.47) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL172559 | 0.66 | CYP3A4 (0.68) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL12964253 | 0.66 | CYP3A4 (0.68) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL12964248 | 0.66 | CYP3A4 (0.68) | SIGMAR1MTORRAB9AGRM7ALDH1A1 | |
| SCHEMBL21799747 | 0.66 | SIGMAR1 (0.46) | SIGMAR1MTORRAB9AGRM7ALDH1A1 |
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 |