Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17730562 | 0.81 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRNAAAHPGD | |
| SCHEMBL582637 | 0.77 | ALDH1A1 (0.44) | ALDH1A1ATMTSHRNAAAHPGD | |
| SCHEMBL11852750 | 0.75 | CES2 (0.52) | ALDH1A1TSHRNAAACA12CA1 | |
| SCHEMBL4453371 | 0.75 | HSD17B10 (0.36) | ALDH1A1HCAR2TDP1HSD17B10CES2 | |
| SCHEMBL445923 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRNAAAHPGD | |
| SCHEMBL615985 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ATMTSHRNAAAHPGD | |
| SCHEMBL25310324 | 0.69 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRNAAAHPGD | |
| SCHEMBL7711346 | 0.69 | — | — | |
| SCHEMBL21470448 | 0.68 | NAAA (0.61) | ALDH1A1TSHRNAAAHCAR2CES2 | |
| Methyl Alcohol SCHEMBL25434681 | 0.68 | — | — |
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-1103547-B1 | FORMAZAN METAL COMPLEX | HAYASHIBARA BIOCHEM LAB (JP) | 2006-07-12 | — | — | EP | disclosed |