Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 9/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.32 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30329655 | 0.86 | PARP1 (0.38) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL6634968 | 0.80 | PARP1 (0.51) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL29739713 | 0.80 | PARP1 (0.51) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL30330180 | 0.77 | MAPT (0.37) | PARP1MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL10580640 | 0.75 | ALDH1A1 (0.41) | MAPTALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL29739510 | 0.73 | MAPK1 (0.37) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4096904 | 0.73 | MAPK1 (0.37) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1979879 | 0.73 | PARP1 (0.41) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL15084266 | 0.73 | GPR35 (0.46) | PARP1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL16178871 | 0.73 | MAPT (0.44) | MAPTALDH1A1MEN1KMT2AATM |
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-104774188-A | Benzohetercyclic or benzoheteraromatic-cyclic derivative and preparation method and application thereof in medicines | JIANGSU HENGRUI MEDICINE CO | 2015-07-15 | — | — | CN | disclosed |