Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL693240 | 0.84 | CA12 (0.42) | KDM4ACA1CA12CA7CA14 | |
| SCHEMBL6635582 | 0.79 | NPFFR1 (0.52) | NPFFR1NPFFR2CA1AURKBEGFR | |
| SCHEMBL27576580 | 0.77 | CA12 (0.37) | KDM4ACA1CA12CA7CA14 | |
| SCHEMBL8693590 | 0.76 | CA1 (0.54) | CA1AURKBEGFRRAF1KDR | |
| SCHEMBL29193980 | 0.75 | LMNA (0.45) | NPFFR1NPFFR2KDM4ACA1SIGMAR1 | |
| SCHEMBL10845357 | 0.75 | MAPT (0.47) | NPFFR1NPFFR2KDM4ACA1CA2 | |
| SCHEMBL7416679 | 0.74 | KDM4A (0.49) | KDM4ACA1CA12CA7CA14 | |
| SCHEMBL7775297 | 0.74 | CA1 (0.46) | CA1CA12CA2MALT1 | |
| SCHEMBL15145823 | 0.74 | L3MBTL1 (0.51) | AURKBEGFRRAF1KDRMAP2K2 | |
| SCHEMBL11581277 | 0.74 | RAB9A (0.41) | CA1CA12CA2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |