Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 8/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 2/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL9871020 | 1.00 | AKR1C3 (0.46) | AKR1C3APEX1RXRARXRBRXRG | |
| SCHEMBL9871808 | 0.78 | HCAR2 (0.43) | RXRARXRBNR4A2CHEK1TACR1 | |
| SCHEMBL9871811 | 0.78 | HCAR2 (0.43) | RXRARXRBNR4A2CHEK1TACR1 | |
| SCHEMBL9871200 | 0.77 | CHEK1 (0.42) | CHEK1TACR1MKNK1MKNK2CYP1A2 | |
| SCHEMBL244853 | 0.75 | AKR1C3 (0.49) | AKR1C3APEX1RXRARXRBRXRG | |
| SCHEMBL9871387 | 0.74 | MEN1 (0.44) | CHEK1TACR1MKNK1MKNK2CYP1A2 | |
| SCHEMBL9871401 | 0.74 | MEN1 (0.44) | CHEK1TACR1MKNK1MKNK2CYP1A2 | |
| SCHEMBL8846070 | 0.74 | CHEK1 (0.42) | CHEK1TACR1CYP1A2 | |
| SCHEMBL9871017 | 0.74 | KMT2A (0.43) | TACR1TOP2A | |
| SCHEMBL9871013 | 0.74 | KMT2A (0.43) | TACR1TOP2A |
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-4997837-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4906624-A | 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |