Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.64 |
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | GUSB | P08236 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1830692 | 0.84 | STAT3 (0.67) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL1822452 | 0.84 | STAT3 (0.67) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6699171 | 0.83 | MAOB (0.73) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL31233113 | 0.83 | MAOB (0.73) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL30384224 | 0.83 | MAOB (0.73) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL25243464 | 0.83 | MAOB (0.73) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6699166 | 0.83 | MAOB (0.73) | ARMAOBCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL2239280 | 0.81 | AR (0.76) | ARMAOBMAOAKDM4EALDH1A1 | |
| SCHEMBL2239277 | 0.81 | AR (0.76) | ARMAOBMAOAKDM4EALDH1A1 | |
| SCHEMBL25202154 | 0.80 | CYP1A1 (0.64) | ARMAOBCYP1A1CYP1B1CYP1A2 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |