Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 5/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3198540 | 0.82 | HTR2A (0.39) | HTR2ACA1CA2GPR3KMT2A | |
| SCHEMBL3198546 | 0.80 | HTR2A (0.37) | HTR2ACA1CA2GPR3KMT2A | |
| SCHEMBL10455243 | 0.77 | HTR2A (0.45) | HTR2ACA1CA2GPR3KMT2A | |
| SCHEMBL29175309 | 0.77 | HTR2A (0.45) | HTR2ACA1CA2TSHRGPR3 | |
| SCHEMBL28502205 | 0.75 | HTR2A (0.43) | HTR2ACA1CA2GPR3KMT2A | |
| SCHEMBL28494644 | 0.71 | IDO1 (0.34) | TACR1TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3845070 | 0.69 | HIF1A (0.41) | HTR2ACA1CA2KMT2APOLB | |
| SCHEMBL3843022 | 0.68 | HTT (0.38) | HTR2AGPR3KMT2ASLC6A2SLC6A4 | |
| SCHEMBL336977 | 0.67 | TACR1 (0.62) | TACR1TSHRKMT2ADPP4CHRNB2 | |
| SCHEMBL11023323 | 0.67 | SLC6A2 (0.41) | TSHRSLC6A2SLC6A4SLC6A3IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111620914-B | Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof | 吉林大学 | 2021-03-19 | — | — | CN | disclosed |
| CN-111620914-A | Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof | 吉林大学 | 2020-09-04 | — | — | CN | disclosed |