Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7455585 | 0.85 | CA12 (0.52) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL6539772 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL17771857 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL3621282 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL1224664 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL13195456 | 0.78 | — | — | |
| SCHEMBL8880040 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL18435281 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL1819894 | 0.76 | ALDH1A1 (0.67) | ALDH1A1HPGDCA12CA9CA2 | |
| SCHEMBL6539776 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HPGDCA12CA9CA2 |
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-4326076-A | Method for preparing the optically active isomer of 2,2-[[5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalene-diyl]bis(oxy)]bis[N,N-dipropylacetamide] | E. R. SQUIBB & SONS, INC. (US) | 1982-04-20 | — | — | US | claimed |