Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15544924 | 1.00 | ALDH1A1 (0.48) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL15545142 | 0.92 | ALDH1A1 (0.42) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL15545143 | 0.92 | ALDH1A1 (0.42) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL9112475 | 0.86 | ALDH1A1 (0.46) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL9112479 | 0.86 | ALDH1A1 (0.46) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL1100036 | 0.82 | ALDH1A1 (0.62) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL15545493 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL1163006 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAAHTTTDP1TSHR | |
| SCHEMBL15545495 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL16679829 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAAHTTGPR35CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2870144-A1 | OREXIN RECEPTOR ANTAGONISTS | Heptares Therapeutics Limited (GB) | 2015-05-13 | — | — | EP | disclosed |
| WO-2014006402-A1 | OREXIN RECEPTOR ANTAGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2014-01-09 | — | — | WO | disclosed |