Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | HNF4A | P41235 | 1/20 | 0.48 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11449962 | 0.84 | MCL1 (0.67) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL15220064 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL2956460 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL2956403 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL2949448 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3161431 | 0.80 | MCL1 (0.72) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10398143 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL24407738 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL4625060 | 0.77 | MCL1 (0.62) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9117526 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA7 |
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-4221800-A | ANTIALLERGENS, ANTIHISTAMINES | MILES LABORATORIES, INC. (US) | 1980-09-09 | — | — | US | disclosed |