Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GPR183 | P32249 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157777 | 0.83 | CES2 (0.47) | KMT2ANR3C1CES2 | |
| SCHEMBL21550074 | 0.83 | KMT2A (0.40) | KMT2AATMCYP3A4NR3C1CES2 | |
| SCHEMBL21564849 | 0.81 | KMT2A (0.46) | KMT2AATMCES2HCRTR1HCRTR2 | |
| SCHEMBL21352128 | 0.81 | HPGD (0.43) | NR3C1 | |
| SCHEMBL28462767 | 0.81 | KMT2A (0.55) | KMT2AATMCYP3A4CES2MRGPRX4 | |
| SCHEMBL20157850 | 0.80 | MAPT (0.39) | KMT2ACES2 | |
| SCHEMBL20157560 | 0.79 | PTPN1 (0.43) | KMT2ACES2HDAC3HDAC1HDAC2 | |
| SCHEMBL21550083 | 0.78 | KMT2A (0.42) | KMT2AATMCYP3A4CES2MRGPRX4 | |
| SCHEMBL20157512 | 0.77 | NPC1 (0.46) | KMT2ANR3C1 | |
| SCHEMBL3661976 | 0.75 | CES2 (0.44) | CES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |