Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15033463 | 0.87 | TUBB4A (0.36) | MAPTDHODHNPC1RAB9ANLRP3 | |
| SCHEMBL9895968 | 0.84 | ALDH1A1 (0.42) | MAPTDHODHNPC1RAB9AGRM5 | |
| SCHEMBL9897091 | 0.84 | PSEN1 (0.37) | MAPTDHODHNPC1RAB9ANLRP3 | |
| SCHEMBL9894892 | 0.82 | IDO1 (0.43) | DHODHNPC1RAB9AGRM5ALDH1A1 | |
| SCHEMBL9895060 | 0.74 | KDM5A (0.36) | DHODHRAB9ALMNA | |
| SCHEMBL9894887 | 0.73 | PDE2A (0.35) | MAPTALDH1A1NPSR1LMNASMN1; SMN2 | |
| SCHEMBL9895921 | 0.73 | HTR5A (0.36) | NPC1RAB9AGRM5 | |
| SCHEMBL21402171 | 0.73 | DHODH (0.37) | DHODHNPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9894802 | 0.71 | MAPK14 (0.43) | HPGD | |
| SCHEMBL9895296 | 0.69 | GRM2 (0.35) | DHODHNPC1RAB9AGRM5ALDH1A1 |
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-2012076590-A1 | NOVEL TRIAZOLE COMPOUNDS III | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-14 | — | — | WO | disclosed |