Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | XBP1 | P17861 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15296754 | 0.82 | CYP2C9 (0.57) | SMN1; SMN2ABCB1CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL14355268 | 0.82 | SLC6A4 (0.53) | ABCB1ALDH1A1GAAKDM4ETSHR | |
| SCHEMBL7523946 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2ABCB1CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL13033243 | 0.80 | SMN1; SMN2 (0.72) | SMN1; SMN2CYP2C9CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL11155814 | 0.80 | TSHR (0.75) | SMN1; SMN2ABCB1CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL14116870 | 0.80 | KMT2A (0.54) | SMN1; SMN2CYP2D6CYP2C19KDM4ETSHR | |
| SCHEMBL14355276 | 0.80 | KMT2A (0.54) | SMN1; SMN2CYP2D6CYP2C19KDM4ETSHR | |
| Hydrochloric Acid SCHEMBL11239580 | 0.79 | TSHR (0.73) | SMN1; SMN2CYP2C9CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL9015935 | 0.78 | ALDH1A1 (0.74) | CYP2D6ALDH1A1LMNAGAAKDM4E | |
| SCHEMBL11151742 | 0.78 | SMN1; SMN2 (0.60) | SMN1; SMN2ABCB1CYP2C9CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7291624-B2 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AG (DE) | 2007-11-06 | — | — | US | disclosed |
| US-7235561-B2 | Compound and a composition including such a compound | SCHERING AG (DE) | 2007-06-26 | — | — | US | disclosed |