Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 6/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951654 | 0.88 | MKNK1 (0.49) | ALDH1A1TSHRTRIM24HPGDALDH5A1 | |
| SCHEMBL29956766 | 0.88 | GRIK1 (0.42) | NPC1CYP2C9RAB9ANPSR1ALDH1A1 | |
| SCHEMBL29957292 | 0.82 | KAT2B (0.52) | ALDH1A1TSHRTRIM24HPGDALDH5A1 | |
| SCHEMBL29956632 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TSHRPDE4BPDE4APDE4C | |
| SCHEMBL3844120 | 0.79 | ALDH1A1 (0.59) | CYP2C9RAB9ANPSR1ALDH1A1TSHR | |
| SCHEMBL28388153 | 0.78 | NPC1 (0.47) | NPC1CYP2C9RAB9ANPSR1ALDH1A1 | |
| SCHEMBL31197237 | 0.78 | GRIK1 (0.43) | GRIK1GRIA2PDE4BPDE4APDE4C | |
| SCHEMBL21939449 | 0.78 | GRIK1 (0.60) | ALDH1A1GRIK1GRIA2ADRB1ADRB3 | |
| SCHEMBL22713946 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TSHRTRIM24HPGDALDH5A1 | |
| SCHEMBL7693441 | 0.77 | RAB9A (0.48) | NPC1CYP2C9RAB9ANPSR1ALDH1A1 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |