Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25149135 | 0.81 | PLAU (0.43) | PLAUALDH1A1MEN1KMT2AADRA2A | |
| SCHEMBL21572709 | 0.75 | PLAU (0.39) | PLAUS1PR1S1PR3 | |
| SCHEMBL12726178 | 0.68 | KDM4E (0.38) | KDM4EALDH1A1CYP1A2MEN1KMT2A | |
| SCHEMBL361806 | 0.68 | KDM4E (0.47) | KDM4EALDH1A1POLBHCAR2RXFP1 | |
| SCHEMBL25366886 | 0.66 | NPC1 (0.49) | KDM4EALDH1A1POLBHCAR2MAPT | |
| SCHEMBL15767643 | 0.65 | AAK1 (0.42) | KDM4EALDH1A1CYP1A2CYP2D6MEN1 | |
| SCHEMBL760353 | 0.65 | NPC1 (0.48) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL12970807 | 0.65 | KDM4E (0.39) | KDM4EALDH1A1CYP1A2CYP2D6MEN1 | |
| SCHEMBL27751424 | 0.65 | AAK1 (0.42) | KDM4EALDH1A1MEN1KMT2APOLB | |
| SCHEMBL29621570 | 0.63 | BACE1 (0.44) | PLAUKDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109053727-B | Preparation method of ABT-199 intermediate | 山东轩德医药科技有限公司 | 2021-01-26 | — | — | CN | disclosed |