Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10835281 | 1.00 | GAA (0.46) | GAAMAPTAKR1C3AKR1C1SRD5A1 | |
| SCHEMBL11031018 | 1.00 | GAA (0.46) | GAAMAPTAKR1C3AKR1C1SRD5A1 | |
| SCHEMBL6457306 | 0.84 | BRD4 (0.40) | BRD4ESR2CYP2C19MAP1LC3B | |
| SCHEMBL10836660 | 0.84 | ESR2 (0.57) | ESR2CYP2D6 | |
| SCHEMBL6457302 | 0.84 | BRD4 (0.40) | BRD4ESR2CYP2C19MAP1LC3B | |
| SCHEMBL10836669 | 0.84 | ESR2 (0.57) | ESR2CYP2D6 | |
| SCHEMBL8028317 | 0.80 | ESR2 (0.50) | GAAMAPTAKR1C3AKR1C1SRD5A1 | |
| SCHEMBL8028320 | 0.80 | ESR2 (0.50) | GAAMAPTAKR1C3AKR1C1SRD5A1 | |
| SCHEMBL6453196 | 0.78 | NPY5R (0.30) | — | |
| SCHEMBL6453200 | 0.78 | NPY5R (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000239214-A | DECAHYDRONAPHTHALENE DERIVATIVE AND ITS PRODUCTION | DAINIPPON INK & CHEM INC | 2000-09-05 | — | — | JP | disclosed |
| US-4600528-A | Decalin-carbonitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-07-15 | — | — | US | disclosed |