Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL3455233 | 0.88 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2NPSR1LMNAMAPK1 | |
| SCHEMBL499730 | 0.83 | CYP11B1 (0.38) | ALDH1A1SMN1; SMN2NPSR1LMNACYP11B1 | |
| SCHEMBL81974 | 0.80 | IDO1 (0.42) | ALDH1A1SMN1; SMN2LMNAHPGDTLR8 | |
| SCHEMBL154181 | 0.79 | PTGDR2 (0.44) | ALDH1A1SMN1; SMN2NPSR1LMNAMAPK1 | |
| SCHEMBL6681997 | 0.79 | ABL1 (0.41) | ALDH1A1SMN1; SMN2NPSR1LMNAHTR2A | |
| SCHEMBL2122564 | 0.78 | TSHR (0.46) | ALDH1A1SMN1; SMN2LMNAMCL1HPGD | |
| SCHEMBL1487566 | 0.77 | CA2 (0.42) | SMN1; SMN2CYP11B1CYP11B2MCL1PTGDR2 | |
| SCHEMBL16955926 | 0.77 | CA2 (0.39) | ALDH1A1CYP11B1CYP11B2MAPK1HTR2A | |
| SCHEMBL17399935 | 0.77 | HPGD (0.47) | ALDH1A1SMN1; SMN2LMNAHTR2ASLC6A4 | |
| SCHEMBL3455585 | 0.76 | HTR2A (0.36) | ALDH1A1SMN1; SMN2NPSR1LMNAHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993008166-A1 | BENZO-ISOQUINOLINE DERIVATIVES AND ANALOGS AND THEIR USE IN THERAPEUTICS | THE UPJOHN COMPANY (US) | 1993-04-29 | — | — | WO | disclosed |
| EP-0539209-A1 | Benzo-isoquinoline derivatives and analogs and their use in therapeutics | THE UPJOHN COMPANY (US) | 1993-04-28 | — | — | EP | disclosed |