Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.47 |
| ▸ | CTRC | Q99895 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26025355 | 0.93 | TYR (0.50) | TYRKMT2AMEN1TP53TSHR | |
| SCHEMBL9921231 | 0.88 | KCNH2 (0.45) | KMT2ATP53TSHRCYP3A4BCAT2 | |
| SCHEMBL14473476 | 0.86 | TYR (0.44) | TYRCTRCKMT2AMEN1TP53 | |
| Ammonia Solution, Strong SCHEMBL6194413 | 0.86 | KCNH2 (0.44) | KMT2ATP53TSHRCYP3A4BCAT2 | |
| SCHEMBL6194409 | 0.82 | CHEK1 (0.41) | TP53CYP3A4GRM2HTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL4933843 | 0.81 | HTR2A (0.42) | TP53CYP3A4GRM2HTR2ASLC6A4 | |
| SCHEMBL11683860 | 0.81 | TYR (0.67) | TYRCTRCKMT2AMEN1TP53 | |
| SCHEMBL13349755 | 0.80 | TYR (0.50) | TYRKMT2AMEN1TP53TSHR | |
| SCHEMBL6681310 | 0.80 | IDO1 (0.52) | TYRCTRCKMT2AMEN1CYP3A4 | |
| SCHEMBL8160113 | 0.80 | HTR2A (0.41) | TP53HTR2ASLC6A4CXCR3ALDH1A1 |
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-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |