Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | CA3 | P07451 | 2/20 | 0.56 |
| ▸ | CA5A | P35218 | 2/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13861685 | 0.84 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL12927101 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL15247216 | 0.81 | POLB (0.43) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL7938534 | 0.79 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL27889238 | 0.79 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL21485134 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL3907144 | 0.77 | CFTR (0.38) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL67884 | 0.77 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL733643 | 0.77 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL865063 | 0.77 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1261350-A | Tetrahydroisoquinoline derivatives as modulators of the dopamine D3 receptor | SMITHKLINE BEECHAM PLC (GB) | 2000-07-26 | — | — | CN | disclosed |
| CN-1224418-A | Tetrahydroisoquinoline derivs. as modulators of dopamine D3 receptors | SMITHKLINE BEECHAM PLC (GB) | 1999-07-28 | — | — | CN | disclosed |