Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL25362718 | 0.86 | AKR1C3 (0.41) | SLC18A3AKR1C3AKR1C1ALDH1A1SIGMAR1 | |
| SCHEMBL5576810 | 0.86 | AKR1C3 (0.41) | SLC18A3AKR1C3AKR1C1ALDH1A1SIGMAR1 | |
| SCHEMBL25362834 | 0.86 | AKR1C3 (0.41) | SLC18A3AKR1C3AKR1C1ALDH1A1SIGMAR1 | |
| SCHEMBL28001883 | 0.82 | DRD2 (0.50) | DRD2 | |
| SCHEMBL1659079 | 0.79 | MEN1 (0.54) | ALDH1A1KMT2ADRD2MAPT | |
| SCHEMBL28171451 | 0.78 | AKR1C3 (0.47) | SLC18A3AKR1C3AKR1C1ALDH1A1SIGMAR1 | |
| SCHEMBL29136131 | 0.75 | RIPK1 (0.49) | SLC18A3AKR1C3AKR1C1ALDH1A1SIGMAR1 | |
| SCHEMBL26090906 | 0.74 | MEN1 (0.44) | ALDH1A1LMNAKMT2ARAB9AMAPT | |
| SCHEMBL6248838 | 0.73 | DRD2 (0.44) | SLC18A3AKR1C3AKR1C1ALDH1A1SIGMAR1 | |
| SCHEMBL25364244 | 0.73 | RAB9A (0.40) | SLC18A3ALDH1A1SIGMAR1GAANPC1 |
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-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |