Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | MC3R | P41968 | 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 | |
|---|---|---|---|---|
| SCHEMBL216973 | 0.83 | ACHE (0.56) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL86279 | 0.76 | ACHE (0.59) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL31510701 | 0.76 | ACHE (0.59) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL31123671 | 0.76 | ACHE (0.59) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL18873161 | 0.76 | ALDH1A1 (0.49) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL15761043 | 0.73 | — | — | |
| SCHEMBL13864441 | 0.73 | ALDH1A1 (0.47) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL11873642 | 0.72 | MEN1 (0.47) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL11878658 | 0.72 | MEN1 (0.47) | ACHEALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL24893653 | 0.71 | CES1 (0.56) | ALDH1A1TDP1KDM4EHPGD |
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-9758515-B2 | Substituted polycyclic carbamoyl pyridone derivative prodrug | SHIONOGI & CO., LTD. (JP) | 2017-09-12 | — | — | US | disclosed |