Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.52 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3898821 | 0.90 | PARP1 (0.48) | PARP1SLC22A12HSD17B10TSHRMEN1 | |
| SCHEMBL2026285 | 0.85 | ESR2 (0.55) | PARP1SLC22A12ALDH1A1HSD17B10HSD17B1 | |
| SCHEMBL29503140 | 0.84 | PRSS1 (0.61) | PARP1LCKALDH1A1SMN1; SMN2PRSS1 | |
| SCHEMBL1002832 | 0.84 | PRSS1 (0.61) | PARP1LCKALDH1A1SMN1; SMN2PRSS1 | |
| SCHEMBL2128609 | 0.82 | PARP1 (0.52) | PARP1LCKBRD4KDM4EALDH1A1 | |
| SCHEMBL1806409 | 0.80 | PARP1 (0.50) | PARP1LCKBRD4KDM4EALDH1A1 | |
| SCHEMBL6632819 | 0.80 | PARP1 (0.50) | PARP1LCKBRD4KDM4EALDH1A1 | |
| SCHEMBL31323218 | 0.80 | LCK (0.53) | PARP1LCKBRD4KDM4EALDH1A1 | |
| SCHEMBL171027 | 0.80 | LCK (0.53) | PARP1LCKBRD4KDM4EALDH1A1 | |
| SCHEMBL15468454 | 0.79 | SLC22A12 (0.59) | SLC22A12NSD2 |
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-1993014062-A1 | ANTHELMINTIC β-KETOAMIDES | THE UPJOHN COMPANY (US) | 1993-07-22 | — | — | WO | claimed |
| WO-1993014062-A1 | ANTHELMINTIC β-KETOAMIDES | THE UPJOHN COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |