Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 13/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 9/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 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 | |
|---|---|---|---|---|
| SCHEMBL26056504 | 0.89 | POLB (0.43) | HTR2CCHRM3HTR2BCHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL28417068 | 0.85 | CHRM3 (0.37) | HTR2CCHRM3MAPK1CCNT1CDK1 | |
| SCHEMBL30648724 | 0.76 | CDK2 (0.58) | HTR2CCCNT1CDK1CDK4CCNB1 | |
| SCHEMBL26640933 | 0.76 | CDK2 (0.58) | HTR2CCCNT1CDK1CDK4CCNB1 | |
| SCHEMBL720335 | 0.75 | CHRM3 (0.40) | HTR2CCHRM3MAPK1 | |
| Hydrochloric Acid SCHEMBL22981558 | 0.74 | CHRM3 (0.39) | HTR2CCHRM3MAPK1 | |
| SCHEMBL722849 | 0.74 | MAPK1 (0.41) | HTR2CCHRM3MAPK1 | |
| SCHEMBL28949544 | 0.74 | HTR2C (0.51) | HTR2CCHRM3HTR2BCHRM4CHRM5 | |
| Trifluoroacetic Acid SCHEMBL31597693 | 0.74 | HTR2C (0.43) | HTR2CCHRM3HTR2BCHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL719328 | 0.73 | MAPK1 (0.40) | HTR2CCHRM3MAPK1 |
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-2020239077-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |