Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14654970 | 0.89 | GAA (0.40) | GAASMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL12283605 | 0.88 | GAA (0.39) | GAASMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL14652251 | 0.86 | GAA (0.38) | GAASMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL14652253 | 0.85 | GAA (0.38) | GAASMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL12283595 | 0.74 | KDM4E (0.40) | SMN1; SMN2ALDH1A1HPGDKDM4ETSHR | |
| SCHEMBL12283328 | 0.73 | NPC1 (0.40) | SMN1; SMN2ALDH1A1HPGDKDM4ETSHR | |
| SCHEMBL22055764 | 0.72 | PDE2A (0.43) | SMN1; SMN2MAPTALDH1A1KDM4EPDE1B | |
| SCHEMBL21199274 | 0.71 | PDE2A (0.41) | SMN1; SMN2MAPTALDH1A1KDM4EPDE1B | |
| SCHEMBL19280466 | 0.69 | PDE2A (0.41) | GAASMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL30598755 | 0.69 | PTPN1 (0.40) | SMN1; SMN2MAPTALDH1A1HPGDKDM4E |
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-2011123493-A1 | SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-06 | — | — | WO | disclosed |