Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 3/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.58 |
| ▸ | NAMPT | P43490 | 1/20 | 0.58 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11113173 | 0.86 | ALDH1A1 (0.79) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL20981432 | 0.86 | TSHR (1.00) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL1279547 | 0.86 | TSHR (1.00) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL5455007 | 0.86 | CYP19A1 (0.66) | TSHRALDH1A1CYP19A1NAMPTPTGDR2 | |
| SCHEMBL6272107 | 0.84 | ALDH1A1 (0.76) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL5458079 | 0.84 | KEAP1 (0.69) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL120702 | 0.84 | ALDH1A1 (1.00) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL3659182 | 0.84 | ALDH1A1 (0.88) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL1278961 | 0.83 | TSHR (0.80) | TSHRALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL20981395 | 0.83 | TSHR (0.80) | TSHRALDH1A1SMN1; SMN2LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1451172-A1 | THERAPEUTIC ISOQUINOLINE COMPOUNDS | AstraZeneca AB (SE) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003037887-A1 | THERAPEUTIC ISOQUINOLINE COMPOUNDS | ASTRAZENECA AB (SE) | 2003-05-08 | — | — | WO | disclosed |