Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 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 | |
|---|---|---|---|---|
| SCHEMBL3393091 | 0.77 | PYCR1 (0.67) | PYCR1TSHRSLC6A4ALDH1A1 | |
| SCHEMBL6857794 | 0.76 | CETP (0.54) | TSHRSLC6A4SLC6A2 | |
| SCHEMBL13070080 | 0.75 | HRH4 (0.50) | TSHRSLC6A4BCHEACHEBACE1 | |
| SCHEMBL3394463 | 0.73 | PYCR1 (0.47) | PYCR1TSHRSLC6A4 | |
| SCHEMBL5995736 | 0.70 | SLC6A2 (0.73) | SLC6A4SLC6A2 | |
| SCHEMBL3215494 | 0.70 | ALDH1A1 (0.44) | TSHRSLC6A4HTR2CBCHEACHE | |
| SCHEMBL2657946 | 0.70 | GCGR (0.50) | SCN9AGCGRCXCR3 | |
| SCHEMBL4092672 | 0.70 | GCGR (0.50) | SCN9AGCGRCXCR3 | |
| SCHEMBL28059587 | 0.69 | LMNA (0.49) | PYCR1TSHRSLC6A4ALDH1A1SLC6A2 | |
| SCHEMBL3396909 | 0.69 | SLC6A4 (0.56) | PYCR1SLC6A4ACHEALDH1A1 |
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 2 patents. 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 |
| WO-2010081904-A1 | 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS | GLAXO GROUP LIMITED (GB) | 2010-07-22 | — | — | WO | disclosed |