Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18437353 | 0.85 | ALDH1A1 (0.46) | ALDH1A1NPSR1HDAC3HDAC1HDAC2 | |
| SCHEMBL18450921 | 0.83 | ALDH1A1 (0.44) | ALDH1A1NPSR1HDAC3HDAC1HDAC2 | |
| SCHEMBL2464249 | 0.81 | HTT (0.50) | ALDH1A1NPSR1HDAC3HDAC1HDAC2 | |
| SCHEMBL18451142 | 0.80 | PTGIR (0.43) | ALDH1A1NPSR1HDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL11830306 | 0.80 | HTT (0.49) | ALDH1A1NPSR1HDAC3HDAC1HDAC2 | |
| SCHEMBL20268246 | 0.79 | HTT (0.51) | ALDH1A1NPSR1HDAC3HDAC1HDAC2 | |
| SCHEMBL18438166 | 0.76 | CYP3A4 (0.47) | ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL2259800 | 0.76 | HTT (0.51) | ALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL5517164 | 0.74 | GAA (0.47) | ALDH1A1HDAC1MAPTCYP3A4 | |
| SCHEMBL30518664 | 0.74 | GAA (0.47) | ALDH1A1HDAC1MAPTCYP3A4 |
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-2011134877-A1 | HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-03 | — | — | WO | disclosed |