Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA7 | P43166 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29199121 | 0.83 | CA12 (0.58) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL17707768 | 0.81 | NPC1 (0.49) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL26617229 | 0.81 | NPC1 (0.49) | NPC1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL29090149 | 0.81 | NPC1 (0.51) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL30353807 | 0.80 | LMNA (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5334254 | 0.80 | LMNA (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5841557 | 0.79 | NPC1 (0.50) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL28317140 | 0.79 | NPC1 (0.47) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL15814203 | 0.78 | IRAK4 (0.51) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL17040388 | 0.77 | ESR1 (0.53) | NPC1ESR1ESR2KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | disclosed |