Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.40 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29395019 | 0.87 | POLB (0.43) | HCAR3POLBPTGS1FTOKDM4C | |
| SCHEMBL29170287 | 0.86 | POLB (0.43) | HCAR3POLBPTGS1FTOKDM4C | |
| SCHEMBL3943928 | 0.86 | HCAR3 (0.45) | HCAR3ALDH1A1POLBPTGS1FTO | |
| SCHEMBL29394423 | 0.84 | POLB (0.42) | HCAR3ALDH1A1POLBTSHRPTGS1 | |
| SCHEMBL30639140 | 0.83 | HRH4 (0.45) | HCAR3ALDH1A1POLBPTGS1FTO | |
| SCHEMBL11252790 | 0.83 | HRH4 (0.45) | HCAR3ALDH1A1POLBPTGS1FTO | |
| SCHEMBL1108653 | 0.83 | RAB9A (0.53) | HCAR3CYP1A2CYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL13947394 | 0.80 | LMNA (0.52) | HCAR3POLBTSHRPTGS1LMNA | |
| SCHEMBL13763543 | 0.80 | HCAR3 (0.47) | HCAR3CYP1A2CYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL13685154 | 0.79 | PTGS1 (0.43) | HCAR3PTGS1FTOKDM4CKDM5B |
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 |
|---|---|---|---|---|---|---|---|
| US-6599908-B1 | Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn | CELLTECH R & D LIMITED (GB) | 2003-07-29 | — | — | US | disclosed |
| US-6057329-A | Fused polycyclic 2-aminopyrimidine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |