Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2616850 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL4734326 | 0.79 | ALDH1A1 (0.58) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL2132706 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL3027865 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL3373723 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL4604695 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL3829114 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL3025001 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL3829117 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EHTTRECQL | |
| SCHEMBL4754864 | 0.76 | KDM4E (0.55) | ALDH1A1HPGDKDM4EHTTRECQL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009071888-A1 | PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2009-06-11 | — | — | WO | disclosed |