Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157017 | 1.00 | TLR4 (0.64) | TLR4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL6453405 | 1.00 | TLR4 (0.64) | TLR4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL6458057 | 0.93 | TLR4 (0.56) | TLR4CYP2C9 | |
| SCHEMBL6458053 | 0.93 | TLR4 (0.56) | TLR4CYP2C9 | |
| SCHEMBL10013889 | 0.91 | TLR4 (0.54) | TLR4LMNAMAPTCYP19A1 | |
| SCHEMBL5684775 | 0.84 | TLR4 (0.47) | TLR4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL10450145 | 0.80 | TLR4 (0.53) | TLR4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL10450146 | 0.80 | TLR4 (0.53) | TLR4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL10450142 | 0.80 | TLR4 (0.53) | TLR4CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL10450723 | 0.75 | TLR4 (0.47) | TLR4CYP2C9ALDH1A1LMNAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |
| US-4600528-A | Decalin-carbonitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-07-15 | — | — | US | disclosed |