Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | LSS | P48449 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | TLR4 | O00206 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL6460591 | 1.00 | CYP1A2 (0.36) | CYP1A2PKMMEN1HTTKMT2A | |
| SCHEMBL30846908 | 0.92 | CYP1A2 (0.35) | CYP1A2PKMMEN1HTTKMT2A | |
| SCHEMBL30846915 | 0.90 | CYP1A2 (0.34) | CYP1A2PKMMEN1HTTKMT2A | |
| SCHEMBL1532279 | 0.90 | CYP1A2 (0.40) | CYP1A2PKMMEN1HTTKMT2A | |
| SCHEMBL6453271 | 0.88 | TLR4 (0.35) | TLR4 | |
| SCHEMBL10837428 | 0.88 | TLR4 (0.35) | TLR4 | |
| SCHEMBL6458146 | 0.88 | TLR4 (0.35) | TLR4 | |
| SCHEMBL17065553 | 0.88 | CYP1A2 (0.39) | CYP1A2PKMMEN1HTTKMT2A | |
| SCHEMBL6453263 | 0.88 | TLR4 (0.35) | TLR4 | |
| SCHEMBL6464689 | 0.86 | TLR4 (0.35) | TLR4 |
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 |