Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | ARG1 | P05089 | 1/20 | 0.38 |
| ▸ | ARG2 | P78540 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10348475 | 0.78 | SLC6A2 (0.59) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL9584380 | 0.77 | TAAR1 (0.52) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL10503241 | 0.75 | TAAR1 (0.67) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL9402156 | 0.74 | SMN1; SMN2 (0.58) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL2573964 | 0.73 | TAAR1 (0.58) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL4528233 | 0.73 | SLC6A2 (0.52) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL28756083 | 0.73 | CYP1A2 (0.50) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL4081566 | 0.72 | TAAR1 (0.64) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL583541 | 0.72 | TAAR1 (0.64) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 | |
| SCHEMBL352842 | 0.72 | TAAR1 (0.64) | TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2246329-A1 | 4(1H)-pyridinone derivatives and their use as antimalaria agents | Glaxo Group Limited (GB) | 2010-11-03 | — | — | EP | disclosed |