Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30946763 | 0.87 | CA1 (0.47) | CA1CA2POLBGAA | |
| SCHEMBL8401477 | 0.84 | CTSS (0.50) | NAMPTNQO2LMNAPOLBIDO1 | |
| SCHEMBL20076233 | 0.82 | NQO2 (0.39) | CA1CA2NAMPTNQO2POLB | |
| SCHEMBL17740765 | 0.82 | CA1 (0.47) | CA1CA2NAMPTNQO2LMNA | |
| SCHEMBL16659424 | 0.81 | CA1 (0.45) | CA1CA2NAMPTNQO2LMNA | |
| SCHEMBL24999627 | 0.81 | GRM2 (0.49) | NAMPTGAA | |
| SCHEMBL29769069 | 0.81 | GRM2 (0.49) | NAMPTGAA | |
| SCHEMBL1128630 | 0.81 | CA2 (0.49) | CA1CA2NAMPTNQO2LMNA | |
| SCHEMBL17823099 | 0.81 | CA2 (0.49) | CA1CA2NAMPTNQO2LMNA | |
| SCHEMBL6680633 | 0.81 | CA2 (0.49) | CA1CA2NAMPTNQO2LMNA |
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 |