Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5752591 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL30065191 | 0.80 | MAPT (0.50) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL28394278 | 0.80 | MAPT (0.50) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL18288212 | 0.77 | MAPT (0.47) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL29954905 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL5752586 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL855939 | 0.74 | MAPT (0.49) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL13041691 | 0.73 | ALDH1A1 (0.59) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL4230805 | 0.72 | ALDH1A1 (0.56) | ALDH1A1HSP90AA1ESR2TDP1MAPT | |
| SCHEMBL17285612 | 0.72 | HSP90AA1 (0.54) | ALDH1A1HSP90AA1ESR2TDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3145930-B1 | FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS | Celon Pharma Sa (PL) | 2018-07-04 | — | — | EP | disclosed |