Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE6C | P51160 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12329757 | 0.76 | MEN1 (0.48) | KEAP1TSHRMAPK1HPGDNPC1 | |
| SCHEMBL7110905 | 0.75 | GPBAR1 (0.53) | KEAP1TSHRMAPK1HPGDNPC1 | |
| SCHEMBL14134227 | 0.75 | TSHR (0.58) | KEAP1TSHRMAPK1HPGDNPC1 | |
| SCHEMBL14052388 | 0.73 | KEAP1 (0.51) | KEAP1TSHRMAPK1HPGDNPC1 | |
| SCHEMBL150008 | 0.71 | TSHR (0.75) | KEAP1TSHRMAPK1HPGDSMN1; SMN2 | |
| SCHEMBL18564898 | 0.71 | ADORA2A (0.42) | TSHRMAPK1HPGDNPC1RAB9A | |
| SCHEMBL29381824 | 0.71 | TSHR (0.75) | KEAP1TSHRMAPK1HPGDSMN1; SMN2 | |
| SCHEMBL4467948 | 0.69 | TSHR (0.54) | KEAP1TSHRMAPK1HPGDSMN1; SMN2 | |
| SCHEMBL14529999 | 0.68 | TSHR (0.47) | KEAP1TSHRMAPK1HPGDNPC1 | |
| Hydrochloric Acid SCHEMBL813914 | 0.68 | TSHR (0.53) | KEAP1TSHRMAPK1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6303790-B1 | REACTING SUBSTITUTED NICOTINAMIDE WITH GRIGNARD REAGENT, OXIDIZING PRODUCT, REACTING WITH HALO-SUBSTITUTED AROMATIC COMPOUND | HOFFMAN-LA ROCHE INC. | 2001-10-16 | — | — | US | disclosed |