Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11683545 | 0.91 | CYP2D6 (0.31) | CYP2D6 | |
| SCHEMBL11686664 | 0.90 | CYP2D6 (0.31) | CYP2D6 | |
| SCHEMBL11684369 | 0.87 | TSHR (0.44) | CYP2D6CYP3A4HSD17B10MEN1KMT2A | |
| 3-Chloroaniline SCHEMBL11682458 | 0.82 | ALDH1A1 (0.49) | CYP2D6CYP3A4HSD17B10MEN1LMNA | |
| Aniline SCHEMBL11686945 | 0.80 | CYP2D6 (0.41) | CYP2D6CYP3A4HSD17B10MEN1LMNA | |
| SCHEMBL11685019 | 0.78 | TSHR (0.47) | CYP2D6CYP3A4HSD17B10CYP2C9MAPK1 | |
| SCHEMBL11682896 | 0.77 | TSHR (0.41) | CYP2D6CYP3A4HSD17B10ALDH1A1THRB | |
| SCHEMBL11683495 | 0.76 | S1PR2 (0.30) | — | |
| O-Tolylamine SCHEMBL11683440 | 0.75 | CYP3A4 (0.43) | CYP2D6CYP3A4HSD17B10MEN1KMT2A | |
| 3-Chloroaniline SCHEMBL11688132 | 0.74 | ALDH1A1 (0.46) | CYP2D6CYP3A4HSD17B10MEN1LMNA |
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-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |