Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045647 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL6045653 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL29199366 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL23928782 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL1520430 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL77922 | 0.80 | ALDH1A1 (0.62) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL29570427 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TSHRHTTHPGDMAOB | |
| Hydrochloric Acid SCHEMBL1715667 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL19925327 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL28385453 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-20060105375-A1 | Bioretrosynthetic methods for preparing products and compositions related thereto | VANDERBILT UNIVERSITY | 2006-05-18 | — | — | US | disclosed |