Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL11116095 | 0.87 | ZDHHC20 (0.36) | CA12CA1CA2CA9 | |
| SCHEMBL10841321 | 0.87 | CA12 (0.35) | CYP1A2MAPK1CA12CA1CA2 | |
| SCHEMBL11119687 | 0.85 | CA12 (0.34) | MAPK1CA12CA1CA2CA9 | |
| SCHEMBL11817931 | 0.82 | CA12 (0.32) | CA12CA1CA2CA9 | |
| SCHEMBL11122176 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL10841309 | 0.74 | CA12 (0.36) | CA12CA1CA2CA9 | |
| SCHEMBL18690884 | 0.73 | NPC1 (0.33) | — | |
| SCHEMBL11122497 | 0.73 | ZDHHC20 (0.39) | CA12CA1CA2CA9 | |
| SCHEMBL11814432 | 0.71 | ZDHHC20 (0.41) | CA12CA1CA2CA9 | |
| SCHEMBL25790978 | 0.71 | CA12 (0.38) | MAPK1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4574123-A | BACTERICIDES, FUNGICIDES, STERILIZATION, CONTRACEPTIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-04 | — | — | US | disclosed |
| EP-0125091-A2 | 4,4'-Alkylenedipiperidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-14 | — | — | EP | disclosed |