Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28058563 | 0.84 | MAOA (0.32) | ALDH1A1SMN1; SMN2MAOBKMT2ALMNA | |
| SCHEMBL27770358 | 0.81 | PDE4A (0.32) | MEN1KMT2ANPSR1 | |
| SCHEMBL27770362 | 0.78 | APOBEC3G (0.37) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL27515004 | 0.75 | SMN1; SMN2 (0.41) | ALDH1A1KDM4ESMN1; SMN2PTGS2KMT2A | |
| SCHEMBL27909622 | 0.73 | TP53 (0.41) | ALDH1A1KDM4ESMN1; SMN2DRD4MEN1 | |
| SCHEMBL27681833 | 0.69 | ALDH1A1 (0.33) | ALDH1A1KDM4ESMN1; SMN2MAOBMEN1 | |
| SCHEMBL27268974 | 0.67 | GAA (0.37) | LMNAGAAMAPTTDP1 | |
| SCHEMBL27459564 | 0.66 | — | — | |
| SCHEMBL27473060 | 0.65 | — | — | |
| SCHEMBL28801181 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101495458-B | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER IP GMBH | 2014-01-29 | — | — | CN | disclosed |
| CN-101495458-A | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER HEALTHCARE AG (DE) | 2009-07-29 | — | — | CN | disclosed |