Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.42 |
| ▸ | PRKD2 | Q9BZL6 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4491073 | 0.81 | ADRB1 (0.48) | ALDH1A1SIGMAR1CYP3A4CYP2C19SLC6A4 | |
| Phenylpiperazine SCHEMBL29235064 | 0.80 | TSHR (0.69) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL28329540 | 0.76 | HRH4 (0.50) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL572737 | 0.76 | TSHR (0.73) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL1472873 | 0.75 | OPRD1 (0.57) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL4726018 | 0.72 | TSHR (0.67) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL1474746 | 0.72 | SIGMAR1 (0.58) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| SCHEMBL572738 | 0.72 | ACVR1 (0.66) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL1220629 | 0.71 | DRD2 (0.68) | OPRD1TSHRHSD17B10USP2ALDH1A1 | |
| Benzamide SCHEMBL694831 | 0.71 | TSHR (0.64) | OPRD1TSHRHSD17B10USP2ALDH1A1 |
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 |