Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28241103 | 0.88 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL28528678 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL28278154 | 0.77 | CYP3A4 (0.41) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL1024159 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL3623130 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL17607476 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL19091741 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL2098620 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL359408 | 0.73 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL28279512 | 0.73 | CYP3A4 (0.41) | ALDH1A1TDP1CYP3A4TSHRCA2 |
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-2009045413-A1 | PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE | PHARMATECH INTERNATIONAL, INC. (US) | 2009-04-09 | — | — | WO | disclosed |