Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13660581 | 0.95 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4EHSD17B10 | |
| SCHEMBL4295594 | 0.95 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4EHSD17B10 | |
| SCHEMBL4295391 | 0.94 | HRH3 (0.55) | ALDH1A1HRH3TSHRKDM4ENPSR1 | |
| SCHEMBL4295387 | 0.94 | HRH3 (0.55) | ALDH1A1HRH3TSHRKDM4ENPSR1 | |
| SCHEMBL4295384 | 0.94 | HRH3 (0.55) | ALDH1A1HRH3TSHRKDM4ENPSR1 | |
| SCHEMBL13660536 | 0.94 | HRH3 (0.55) | ALDH1A1HRH3TSHRKDM4ENPSR1 | |
| SCHEMBL4295389 | 0.94 | HRH3 (0.55) | ALDH1A1HRH3TSHRKDM4ENPSR1 | |
| SCHEMBL28534124 | 0.94 | ALDH1A1 (0.53) | ALDH1A1HRH3TSHRKDM4ENPSR1 | |
| SCHEMBL10763535 | 0.82 | CHRNA7 (0.49) | ALDH1A1TSHRKDM4ECHRNA7MAPT | |
| SCHEMBL13660580 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRKDM4ENPSR1HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0241292-A2 | 4-substituted octahydroquinolizine analgesic compounds and octahydroquinolizinium intermediates | McNeilab, Inc. (US) | 1987-10-14 | — | — | EP | claimed |