Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29503140 | 0.82 | PRSS1 (0.61) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL1002832 | 0.82 | PRSS1 (0.61) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL6825758 | 0.78 | PARP1 (0.50) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL1805869 | 0.78 | PARP1 (0.50) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL284729 | 0.78 | TDP1 (0.73) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL1805871 | 0.78 | LCK (0.53) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL1804065 | 0.77 | PARP1 (0.48) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL1755245 | 0.77 | HPGD (0.51) | PARP1MAPTALDH1A1 | |
| SCHEMBL29506358 | 0.77 | MTOR (0.49) | PARP1MAPTTDP1LCKALDH1A1 | |
| SCHEMBL1233265 | 0.77 | MTOR (0.49) | PARP1MAPTTDP1LCKALDH1A1 |
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-1409463-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | Bristol-Myers Squibb Company (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003002542-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-01-09 | — | — | WO | disclosed |