Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | RB1 | P06400 | 2/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6455983 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP3A4ACHERB1SRD5A1 | |
| SCHEMBL6452383 | 0.81 | ALDH1A1 (0.33) | ALDH1A1CYP3A4SRD5A1SMN1; SMN2 | |
| SCHEMBL6452375 | 0.81 | ALDH1A1 (0.33) | ALDH1A1CYP3A4SRD5A1SMN1; SMN2 | |
| SCHEMBL6453541 | 0.81 | CYP3A4 (0.37) | ALDH1A1CYP3A4SRD5A1SMN1; SMN2 | |
| SCHEMBL6453547 | 0.81 | CYP3A4 (0.37) | ALDH1A1CYP3A4SRD5A1SMN1; SMN2 | |
| SCHEMBL6454361 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CYP3A4SRD5A1SMN1; SMN2 | |
| SCHEMBL6454365 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CYP3A4SRD5A1SMN1; SMN2 | |
| SCHEMBL6451647 | 0.79 | TLR4 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL6451651 | 0.79 | TLR4 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL6457138 | 0.79 | CYP1A2 (0.41) | ALDH1A1CYP3A4 |
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 |