Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.52 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10464263 | 0.86 | CA12 (0.56) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL10465350 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL10465354 | 0.75 | PDE4A (0.52) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL6993698 | 0.75 | CA12 (0.65) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL22303088 | 0.73 | TDP1 (0.50) | ALDH1A1MAPTGAASMN1; SMN2TDP1 | |
| SCHEMBL31327211 | 0.73 | CES2 (0.67) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL1333620 | 0.73 | CYP1A2 (0.81) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL2159179 | 0.72 | TDP1 (0.59) | ALDH1A1MAPTGAASMN1; SMN2TDP1 | |
| SCHEMBL13550701 | 0.72 | CYP1A2 (0.58) | ALDH1A1HPGDALOX12MAPTGAA | |
| SCHEMBL29668496 | 0.72 | MEN1 (0.71) | ALDH1A1HPGDALOX12MAPTGAA |
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-4912221-A | Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1990-03-27 | — | — | US | disclosed |