Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30337034 | 0.95 | NFKB1 (0.56) | NFKB1CYP3A4TSHRNPSR1CA4 | |
| SCHEMBL30463177 | 0.95 | — | — | |
| Zinc Ion SCHEMBL30953896 | 0.95 | NFKB1 (0.56) | NFKB1CYP3A4TSHRNPSR1CA4 | |
| SCHEMBL7654071 | 0.95 | — | — | |
| SCHEMBL29613071 | 0.95 | NFKB1 (0.56) | NFKB1CYP3A4TSHRNPSR1CA4 | |
| Potassium Ion SCHEMBL29740009 | 0.95 | — | — | |
| SCHEMBL29572976 | 0.85 | CA2 (0.54) | NFKB1CYP3A4TSHRNPSR1CA4 | |
| SCHEMBL6865427 | 0.80 | CA2 (0.54) | NFKB1CYP3A4TSHRNPSR1CA4 | |
| SCHEMBL31257325 | 0.80 | CA2 (0.54) | NFKB1CYP3A4TSHRNPSR1CA4 | |
| SCHEMBL6535441 | 0.80 | CA2 (0.54) | NFKB1CYP3A4TSHRNPSR1CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111560115-B | Preparation method of moisture-absorbing flame-retardant modified PTT polyester | 浙江恒逸石化研究院有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-111379048-B | Preparation method of bi-component composite wool-like elastic fiber | 杭州逸暻化纤有限公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-111269404-B | Composite catalyst suitable for synthesizing polytrimethylene terephthalate and preparation method of polytrimethylene terephthalate | 浙江恒澜科技有限公司 | 2022-04-01 | — | — | CN | disclosed |