Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.37 |
| ▸ | SKP1 | P63208 | 1/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8399437 | 0.86 | AKT1 (0.45) | PARP1AKT1CKS1BSKP1SKP2 | |
| SCHEMBL8399579 | 0.83 | AKT1 (0.56) | AKT1CKS1BSKP1SKP2IDO1 | |
| SCHEMBL30946763 | 0.81 | CA1 (0.47) | CA1CA2POLBGAA | |
| SCHEMBL8399537 | 0.77 | CA1 (0.43) | IDO1CA1CA2LMNAPOLB | |
| SCHEMBL24999627 | 0.74 | GRM2 (0.49) | GAANAMPT | |
| SCHEMBL29769069 | 0.74 | GRM2 (0.49) | GAANAMPT | |
| SCHEMBL17823099 | 0.73 | CA2 (0.49) | IDO1CA1CA2LMNANQO2 | |
| SCHEMBL1128630 | 0.73 | CA2 (0.49) | CA1CA2LMNANQO2NAMPT | |
| SCHEMBL17740765 | 0.72 | CA1 (0.47) | CA1CA2LMNAPOLBNQO2 | |
| SCHEMBL8401489 | 0.72 | AKT1 (0.47) | AKT1CKS1BSKP1SKP2IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5998415-A | Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| WO-1997016446-A1 | BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-09 | — | — | WO | disclosed |