Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6453070 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL7918537 | 0.94 | ALDH1A1 (0.34) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL7918540 | 0.94 | ALDH1A1 (0.34) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL7917820 | 0.94 | GRM2 (0.36) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL6456747 | 0.94 | GRM2 (0.36) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL6451819 | 0.93 | GRM2 (0.38) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL7917871 | 0.93 | GRM2 (0.38) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL6453645 | 0.93 | GRM2 (0.38) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL6453641 | 0.93 | GRM2 (0.38) | ALDH1A1LMNAMAPTCYP2C9HPGD | |
| SCHEMBL7920003 | 0.92 | LCK (0.36) | ALDH1A1LMNACYP2C9HPGDKDM4E |
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 |