Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20404409 | 0.85 | ALDH1A1 (0.64) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16801447 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16800878 | 0.82 | MAPT (0.44) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16800612 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16801129 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16800990 | 0.77 | CYP1A2 (0.39) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL10789317 | 0.77 | ALDH1A1 (0.71) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16799626 | 0.77 | CYP1A2 (0.40) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL16801091 | 0.77 | HSD17B10 (0.37) | ALDH1A1HPGDHSD17B10CYP3A4TDP1 | |
| SCHEMBL16801258 | 0.76 | ADORA3 (0.39) | ALDH1A1HPGDHSD17B10TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015082046-A2 | SUBSTITUTED OXEPINES | MERCK PATENT GMBH (DE) | 2015-06-11 | — | — | WO | disclosed |