Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.44 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1419107 | 1.00 | HTR2A (0.55) | HTR2ACYP2A6CCNB2CDK1CDK4 | |
| SCHEMBL2890060 | 0.84 | PTGER4 (0.62) | HTR2ASRD5A2PTGER1PTGER4PTGER3 | |
| SCHEMBL2890063 | 0.84 | PTGER4 (0.62) | HTR2ASRD5A2PTGER1PTGER4PTGER3 | |
| SCHEMBL1728184 | 0.84 | HTR2A (0.53) | HTR2ACCNB2CDK1CDK4CCNB1 | |
| SCHEMBL1728181 | 0.84 | HTR2A (0.53) | HTR2ACCNB2CDK1CDK4CCNB1 | |
| SCHEMBL11073472 | 0.83 | HTR2A (0.52) | HTR2ASRD5A2MAPTL3MBTL1MAPK1 | |
| SCHEMBL11073474 | 0.83 | HTR2A (0.52) | HTR2ASRD5A2MAPTL3MBTL1MAPK1 | |
| SCHEMBL28374945 | 0.82 | HTR2A (0.63) | HTR2ASRD5A2MAPTL3MBTL1MAPK1 | |
| SCHEMBL30712060 | 0.82 | ERN1 (0.41) | HTR2ACYP2A6CCNB2CDK1CDK4 | |
| SCHEMBL3051252 | 0.82 | ERN1 (0.41) | HTR2ACCNB2CDK1CDK4CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |