Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | CASP1 | P29466 | 4/20 | 0.35 |
| ▸ | CASP7 | P55210 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27848965 | 0.80 | HDAC1 (0.32) | L3MBTL1 | |
| SCHEMBL27909622 | 0.80 | TP53 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL27770365 | 0.78 | ALDH1A1 (0.35) | ALDH1A1HSD17B10HPGDL3MBTL1USP2 | |
| SCHEMBL27909686 | 0.73 | — | — | |
| SCHEMBL27770355 | 0.73 | — | — | |
| SCHEMBL28027065 | 0.72 | GAA (0.36) | — | |
| SCHEMBL27770358 | 0.69 | PDE4A (0.32) | MEN1KMT2A | |
| SCHEMBL27515004 | 0.64 | SMN1; SMN2 (0.41) | ALDH1A1HPGDKMT2ALMNAKDM4E | |
| SCHEMBL28058563 | 0.64 | MAOA (0.32) | ALDH1A1L3MBTL1KMT2ALMNA | |
| SCHEMBL27561988 | 0.61 | — | — |
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 |