Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL987657 | 0.94 | CHRM1 (0.38) | CA1CA2CHRM1AKR1A1CHRM3 | |
| SCHEMBL16124199 | 0.83 | CA1 (0.31) | CA1CA2CYP3A4NFKB1 | |
| SCHEMBL671802 | 0.81 | CYP4F2 (0.36) | TDP1 | |
| SCHEMBL21523303 | 0.80 | KCNH2 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28229130 | 0.79 | — | — | |
| SCHEMBL19115402 | 0.78 | POLB (0.32) | CA1CA2TDP1CTSKNPSR1 | |
| SCHEMBL23494217 | 0.76 | TSHR (0.40) | CTSKCYP3A4TSHR | |
| SCHEMBL23494263 | 0.76 | TSHR (0.40) | TSHR | |
| SCHEMBL9608673 | 0.75 | ELANE (0.31) | — | |
| SCHEMBL167276 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406406-A | Ketal compound and application thereof | GF生物化学有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-105189398-B | The polyurethanes sealant based on poly- (epoxy butane) polyalcohol for glass capsulation | 陶氏环球技术有限责任公司 | 2018-07-24 | — | — | CN | disclosed |
| CN-107406406-A | Ketal compound and application thereof | GF生物化学有限公司 | 2017-11-28 | — | — | CN | disclosed |
| US-4997808-A | Superconductive ceramic oxide combination | EASTMAN KODAK COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| EP-0376862-A2 | A superconductive ceramic oxide combination | EASTMAN KODAK COMPANY (US) | 1990-07-04 | — | — | EP | disclosed |
| EP-0305965-A1 | Process for preparing esters of unsaturated alcohols | UNION CARBIDE CORPORATION (US) | 1989-03-08 | — | — | EP | disclosed |