Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29937522 | 1.00 | BACE1 (0.54) | BACE1AKR1C3EPHX2APPTTR | |
| SCHEMBL16307036 | 1.00 | BACE1 (0.54) | BACE1AKR1C3EPHX2APPTTR | |
| SCHEMBL18386213 | 0.88 | BACE1 (0.62) | BACE1EPHX2APPTTRCA12 | |
| SCHEMBL6821064 | 0.88 | AKR1C3 (0.56) | BACE1AKR1C3EPHX2APPTTR | |
| SCHEMBL6821063 | 0.88 | AKR1C3 (0.56) | BACE1AKR1C3EPHX2APPTTR | |
| SCHEMBL2744655 | 0.87 | F3 (0.56) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL2744652 | 0.87 | F3 (0.56) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL3017298 | 0.85 | THRB (0.57) | BACE1AKR1C3CA12CA1CA2 | |
| SCHEMBL3017301 | 0.85 | THRB (0.57) | BACE1AKR1C3CA12CA1CA2 | |
| SCHEMBL22837938 | 0.85 | MAOB (0.52) | BACE1AKR1C3TTRCA12CA1 |
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-2020063792-A1 | INDOLE MACROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2020-04-02 | — | — | WO | disclosed |