Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL586485 | 0.92 | CA4 (0.50) | CA4LTA4HTSHRCA1CA2 | |
| SCHEMBL388603 | 0.92 | CA4 (0.50) | CA4LTA4HTSHRCA1CA2 | |
| SCHEMBL13289 | 0.87 | LTA4H (0.50) | CA4LTA4HTSHRLMNAALOX12 | |
| Iodomethane SCHEMBL1738543 | 0.84 | CA4 (0.46) | CA4LTA4HTSHRHTTSMN1; SMN2 | |
| SCHEMBL8395504 | 0.84 | CA4 (0.42) | CA4LTA4HTSHRCA1CA2 | |
| Iodide SCHEMBL5553135 | 0.84 | LTA4H (0.47) | CA4LTA4HTSHRLMNAALOX12 | |
| SCHEMBL8113527 | 0.84 | LTA4H (0.47) | CA4LTA4HTSHRLMNAALOX12 | |
| Hydrochloric Acid SCHEMBL3848860 | 0.84 | LTA4H (0.47) | CA4LTA4HTSHRLMNAALOX12 | |
| SCHEMBL3009883 | 0.84 | LTA4H (0.47) | CA4LTA4HTSHRLMNAALOX12 | |
| SCHEMBL8662152 | 0.84 | LTA4H (0.47) | CA4LTA4HTSHRHTTLMNA |
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-2018019436-A1 | METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2018-02-01 | — | — | WO | disclosed |
| EP-3275876-A1 | METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF | Fundació Institut Català D'investigació Quimica (ES) | 2018-01-31 | — | — | EP | disclosed |