Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21253104 | 0.87 | SLC6A3 (0.48) | TSHRSLC6A3KMT2ARAB9AMEN1 | |
| SCHEMBL21247171 | 0.87 | SLC6A3 (0.48) | TSHRSLC6A3KMT2ARAB9AMEN1 | |
| SCHEMBL22770001 | 0.82 | KDM4E (0.43) | CYP1A2CYP2C19CYP2D6TSHRSLC6A3 | |
| SCHEMBL22770002 | 0.82 | KDM4E (0.43) | CYP1A2CYP2C19CYP2D6TSHRSLC6A3 | |
| SCHEMBL21253254 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2D6TSHRSLC6A3 | |
| SCHEMBL21261408 | 0.80 | KDM4E (0.48) | CYP1A2CYP2C19CYP2D6TSHRSLC6A3 | |
| SCHEMBL21247481 | 0.78 | ALDH1A1 (0.55) | TSHRKMT2ARAB9ANPC1MEN1 | |
| SCHEMBL21247480 | 0.78 | ALDH1A1 (0.55) | TSHRKMT2ARAB9ANPC1MEN1 | |
| SCHEMBL1666445 | 0.75 | CA1 (0.64) | TSHRSLC6A3SLC6A4KMT2AMEN1 | |
| SCHEMBL6449347 | 0.74 | SMN1; SMN2 (0.47) | CYP1A2SLC6A4KMT2ARAB9ANPC1 |
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-111683932-A | Compound with BET inhibition activity, preparation method and application thereof | 上海海和药物研究开发有限公司 | 2020-09-18 | — | — | CN | disclosed |