Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14082776 | 0.91 | MAPK14 (0.44) | ALDH1A1TP53LMNAPOLBMAPT | |
| SCHEMBL11943401 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TP53LMNAPOLBMAPT | |
| SCHEMBL11943403 | 0.90 | ALDH1A1 (0.55) | ALDH1A1TP53LMNAPOLBNPBWR1 | |
| SCHEMBL11943428 | 0.88 | SMO (0.44) | ALDH1A1TP53LMNAPOLBMAPT | |
| SCHEMBL14081538 | 0.88 | MAPK14 (0.41) | ALDH1A1TP53LMNAPOLBNPBWR1 | |
| SCHEMBL11943370 | 0.87 | MAPT (0.41) | ALDH1A1TP53LMNAPOLBMCHR1 | |
| SCHEMBL11943422 | 0.86 | MAPK14 (0.45) | ALDH1A1LMNAPOLBNPBWR1MCHR1 | |
| SCHEMBL11943338 | 0.86 | ALDH1A1 (0.51) | ALDH1A1LMNAPOLBMAPTMAPK14 | |
| SCHEMBL14081678 | 0.86 | NPBWR1 (0.47) | ALDH1A1TP53LMNANPBWR1MCHR1 | |
| SCHEMBL11943347 | 0.86 | DRD4 (0.59) | ALDH1A1TP53LMNAMAPTMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008115381-A1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | SCHERING CORPORATION (US) | 2008-09-25 | — | — | WO | disclosed |
| WO-2008115385-A2 | PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | SCHERING CORPORATION (US) | 2008-09-25 | — | — | WO | disclosed |