Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CISD1 | Q9NZ45 | 7/20 | 0.46 |
| ▸ | ACLY | P53396 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11595503 | 0.84 | POLB (0.56) | CA12CA9ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11802836 | 0.83 | GAA (0.57) | CA12CA9ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9436578 | 0.82 | CYP1A2 (0.41) | CA12CA9ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9039437 | 0.81 | CYP1A2 (0.40) | CA12CA9ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9577123 | 0.80 | ALDH1A1 (0.57) | CA12CA9ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9436568 | 0.77 | GAA (0.50) | CA12CA9ALDH1A1CISD1TSHR | |
| SCHEMBL11555586 | 0.76 | GAA (0.50) | CA12CA9ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3524965 | 0.75 | CA12 (0.54) | CA12CA9ALDH1A1CISD1TSHR | |
| SCHEMBL9436722 | 0.75 | POLB (0.58) | CA12CA9MEN1KMT2ATDP1 | |
| SCHEMBL11595388 | 0.75 | GSTO1 (0.50) | CA12CA9ALDH1A1CYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5373024-A | 3,5-Substituted benzoylguanidines, process for their preparation, their use as a medicament of diagnostic and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-12-13 | — | — | US | disclosed |