Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6457520 | 1.00 | TLR4 (0.45) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL6457523 | 1.00 | TLR4 (0.45) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL5599141 | 0.98 | TLR4 (0.46) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL10837113 | 0.98 | TLR4 (0.46) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL14382045 | 0.98 | TLR4 (0.46) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL5599138 | 0.98 | TLR4 (0.46) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL6458413 | 0.93 | TLR4 (0.51) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL6452598 | 0.93 | TLR4 (0.51) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL6452593 | 0.93 | TLR4 (0.51) | TLR4OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL6458424 | 0.93 | TLR4 (0.51) | TLR4OPRM1OPRL1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |