Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21380384 | 0.95 | ALDH1A1 (0.50) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL17896072 | 0.84 | AKR1C1 (0.62) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL25460767 | 0.84 | ALDH1A1 (0.53) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL3664975 | 0.83 | LMNA (0.47) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL15823293 | 0.83 | LMNA (0.47) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL9338162 | 0.83 | AKR1C1 (0.65) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL89653 | 0.81 | OPRM1 (0.47) | ALDH1A1LMNANPSR1HDAC4ITGA4 | |
| SCHEMBL18400294 | 0.81 | HDAC4 (0.72) | ALDH1A1LMNANPSR1HDAC4HTT | |
| SCHEMBL18400378 | 0.81 | HDAC4 (0.72) | ALDH1A1LMNANPSR1HDAC4HTT | |
| SCHEMBL18400386 | 0.81 | HDAC4 (0.72) | ALDH1A1LMNANPSR1HDAC4HTT |
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 |