Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA4 | P22748 | 2/20 | 0.58 |
| ▸ | CA5A | P35218 | 1/20 | 0.58 |
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31574395 | 0.79 | CA2 (0.58) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL440461 | 0.73 | CA2 (0.52) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL4926349 | 0.73 | CA2 (0.52) | CA2CA4CA5ACFTRTSHR | |
| Phenylphosphonic Acid SCHEMBL269853 | 0.73 | CA2 (1.00) | CA2CA4CA5ACFTRTSHR | |
| Phenylphosphonic Acid SCHEMBL34998 | 0.73 | CA2 (1.00) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL433204 | 0.73 | CA2 (0.52) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL3068225 | 0.73 | CA2 (0.52) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL10707969 | 0.73 | CA2 (0.52) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL191567 | 0.73 | CA2 (0.68) | CA2CA4CA5ACFTRTSHR | |
| SCHEMBL19809596 | 0.71 | CA2 (0.65) | CA2CA4CA5ACFTRTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020195998-A1 | EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND | 株式会社ダイセル | 2020-10-01 | — | — | WO | disclosed |
| CN-110143856-A | A kind of synthetic method of dichocrocis punctiferalis sex pheromone (Z, E) -10- hexadecene aldehyde compound | 山东省农药科学研究院 | 2019-08-20 | — | — | CN | disclosed |