Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL10048365 | 0.84 | MAPT (0.62) | PDE4BPDE4APDE4CPDE4DMAPT | |
| SCHEMBL8480402 | 0.83 | MAPT (0.68) | PDE4BPDE4APDE4CPDE4DMAPT | |
| SCHEMBL21093942 | 0.78 | MEN1 (0.52) | PDE4BPDE4APDE4CPDE4DMAPT | |
| SCHEMBL1374898 | 0.77 | PDE4A (0.74) | PDE4BPDE4APDE4CPDE4DMAPT | |
| SCHEMBL21093939 | 0.72 | AR (0.43) | PDE4BPDE4APDE4CPDE4DMAPT | |
| SCHEMBL8480598 | 0.71 | GRIN2D (0.45) | PDE4BMAPTRETKDRTDP1 | |
| SCHEMBL21093590 | 0.71 | CALCRL (0.46) | MAPTRETKDRKDM4E | |
| SCHEMBL9374755 | 0.70 | TSHR (0.47) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL21093946 | 0.70 | CA12 (0.46) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL581787 | 0.70 | AR (0.70) | MAPTSMN1; SMN2LMNAGAA |
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-5883090-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-03-16 | — | — | US | disclosed |
| EP-0796250-A1 | PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1997-09-24 | — | — | EP | disclosed |
| WO-1997013758-A1 | PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-04-17 | — | — | WO | disclosed |