Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 3/20 | 0.39 |
| ▸ | MMP13 | P45452 | 3/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922260 | 0.86 | SIGMAR1 (0.41) | CASRLMNACYP2D6ALDH1A1HPGD | |
| SCHEMBL7009830 | 0.82 | PTGS1 (0.40) | CASRLMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7011665 | 0.73 | MEN1 (0.62) | CASRLMNACYP2D6LTA4HMMP1 | |
| SCHEMBL5516663 | 0.70 | CASR (0.58) | CASRLMNACYP2D6LTA4HMMP1 | |
| SCHEMBL7914072 | 0.69 | ALDH1A1 (0.59) | LMNAALDH1A1SMN1; SMN2HTTMEN1 | |
| SCHEMBL7922652 | 0.68 | PTGS1 (0.40) | LMNAMMP1MMP13MMP9ALDH1A1 | |
| SCHEMBL5527612 | 0.68 | CASR (0.59) | CASRLTA4HALDH1A1MEN1POLB | |
| SCHEMBL7914071 | 0.67 | MAPT (0.44) | LMNACYP2D6ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL13153085 | 0.66 | MAOB (0.55) | LTA4HMMP1MMP13MMP9ALDH1A1 | |
| SCHEMBL5519885 | 0.66 | CASR (0.56) | CASRLMNAALDH1A1SMN1; SMN2SIGMAR1 |
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-1135365-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034230-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |