Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6318718 | 0.77 | ALOX5 (0.47) | ALDH1A1TSHRHIF1ACYP3A4HPGD | |
| SCHEMBL8609968 | 0.77 | PTPN22 (0.38) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL79572 | 0.77 | NCEH1 (0.46) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| Naphthalene SCHEMBL11043776 | 0.77 | NCEH1 (0.46) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL7922105 | 0.77 | CYP2A6 (0.56) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL25156358 | 0.75 | POLB (0.50) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL5610077 | 0.75 | ALDH1A1 (0.44) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL22288225 | 0.75 | HPRT1 (0.58) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL12533427 | 0.75 | CYP2A6 (0.54) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL23479388 | 0.75 | ALDH1A1 (0.44) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 |
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-0437016-A2 | Lipid A analogues having immunoactivating and anti-tumour activity | Sankyo Company Limited (JP) | 1991-07-17 | — | — | EP | disclosed |