Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | BTN3A1 | O00481 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7645867 | 0.82 | CA12 (0.34) | CA12CA1CA2CA9 | |
| SCHEMBL28587893 | 0.77 | CA12 (0.41) | CA12CA1CA2CA9 | |
| SCHEMBL5077985 | 0.75 | CA12 (0.40) | CA12CA1CA2CA9BTN3A1 | |
| SCHEMBL14086322 | 0.75 | CA12 (0.40) | CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL28609025 | 0.74 | CA12 (0.39) | CA12CA1CA2CA9BTN3A1 | |
| SCHEMBL15634387 | 0.74 | CA12 (0.39) | CA12CA1CA2CA9 | |
| SCHEMBL25821319 | 0.74 | CA12 (0.39) | CA12CA1CA2CA9 | |
| SCHEMBL7651071 | 0.73 | HDAC6 (0.34) | — | |
| SCHEMBL7647689 | 0.72 | PTGS2 (0.36) | CA2 | |
| SCHEMBL17036885 | 0.72 | CA12 (0.44) | CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002008235-A1 | MEDICAMENT FOR ORAL APPLICATION, CONTAINING AMINOPROPYL PHOSPHONIC ACID ESTERS AS AN ACTIVE INGREDIENT | JOMAA PHARMAKA GMBH (DE) | 2002-01-31 | — | — | WO | disclosed |