Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714168 | 1.00 | CYP2D6 (0.51) | CYP2D6ADRA1ASLC6A2CYP1A2CYP3A4 | |
| SCHEMBL8714224 | 0.94 | TAAR1 (0.51) | CYP2D6ADRA1ASLC6A2CYP1A2CYP3A4 | |
| SCHEMBL8714227 | 0.94 | TAAR1 (0.51) | CYP2D6ADRA1ASLC6A2CYP1A2CYP3A4 | |
| SCHEMBL8714019 | 0.90 | CYP2D6 (0.58) | CYP2D6SLC6A2SLC6A3LMNAADRA2A | |
| SCHEMBL8714017 | 0.90 | CYP2D6 (0.58) | CYP2D6SLC6A2SLC6A3LMNAADRA2A | |
| SCHEMBL8716602 | 0.81 | LMNA (0.49) | CYP2D6SLC6A2MAPK1SLC6A3LMNA | |
| SCHEMBL8713316 | 0.81 | ALDH1A1 (0.52) | CYP2D6SLC6A2CYP1A2CYP3A4MAPK1 | |
| SCHEMBL8713801 | 0.81 | LMNA (0.49) | CYP2D6SLC6A2MAPK1SLC6A3LMNA | |
| SCHEMBL8713318 | 0.81 | ALDH1A1 (0.52) | CYP2D6SLC6A2CYP1A2CYP3A4MAPK1 | |
| SCHEMBL8716605 | 0.81 | LMNA (0.49) | CYP2D6SLC6A2MAPK1SLC6A3LMNA |
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-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |