Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27993530 | 0.79 | ALDH1A1 (0.35) | GABRR1CYP1A2EPHX1NAAA | |
| SCHEMBL29039461 | 0.79 | NPC1 (0.39) | NPC1EPHX1NAAA | |
| SCHEMBL29039459 | 0.79 | NPC1 (0.39) | NPC1EPHX1NAAA | |
| SCHEMBL25355957 | 0.79 | NPC1 (0.43) | CYP1A2NPC1BLMNAAA | |
| SCHEMBL25355953 | 0.79 | NPC1 (0.43) | CYP1A2NPC1BLMNAAA | |
| SCHEMBL9136629 | 0.77 | NPC1 (0.38) | CYP1A2NPC1EPHX1NAAALNPEP | |
| SCHEMBL9251921 | 0.77 | NPC1 (0.47) | CYP1A2NPC1EPHX1LNPEP | |
| SCHEMBL9128054 | 0.77 | NPC1 (0.47) | CYP1A2NPC1EPHX1LNPEP | |
| SCHEMBL25356906 | 0.76 | GRIN2D (0.41) | CYP1A2NPC1BLM | |
| SCHEMBL25356903 | 0.76 | GRIN2D (0.41) | CYP1A2NPC1BLM |
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-4504412-A | Cyclohexane derivatives in fragrance compositions | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1985-03-12 | — | — | US | disclosed |