Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23568725 | 1.00 | PNMT (0.41) | PNMTTSHRCYP1A2CYP2D6TAAR1 | |
| SCHEMBL9846801 | 0.83 | TSHR (0.45) | PNMTTSHRCYP1A2TAAR1IDO1 | |
| SCHEMBL9846799 | 0.83 | TSHR (0.45) | PNMTTSHRCYP1A2TAAR1IDO1 | |
| SCHEMBL6908412 | 0.81 | TSHR (0.42) | PNMTTSHRCYP1A2CYP2D6TAAR1 | |
| SCHEMBL23569368 | 0.78 | NR4A2 (0.34) | PNMTTSHRCYP1A2TAAR1IDO1 | |
| SCHEMBL23531754 | 0.78 | NR4A2 (0.34) | PNMTTSHRCYP1A2TAAR1IDO1 | |
| SCHEMBL15340796 | 0.77 | TSHR (0.39) | PNMTTSHRCYP1A2CYP2D6TAAR1 | |
| SCHEMBL11293986 | 0.73 | CYP1A2 (0.39) | PNMTTSHRCYP1A2CYP2D6TAAR1 | |
| SCHEMBL4632092 | 0.72 | TSHR (0.35) | PNMTTSHRCYP1A2CYP2D6TAAR1 | |
| SCHEMBL3645067 | 0.71 | TSHR (0.58) | PNMTTSHRCYP1A2CYP2D6TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |