Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7437356 | 0.84 | CES1 (0.36) | ALDH1A1TDP1CES2CES1 | |
| SCHEMBL7440935 | 0.82 | CES2 (0.39) | ALDH1A1TDP1CES2CES1 | |
| SCHEMBL7992821 | 0.82 | CES2 (0.37) | ALDH1A1CES2CES1 | |
| SCHEMBL7438751 | 0.80 | CES2 (0.41) | ALDH1A1TDP1CES2CES1 | |
| SCHEMBL4654394 | 0.78 | ALDH1A1 (0.42) | CA2ALDH1A1TDP1 | |
| SCHEMBL10734089 | 0.77 | ALDH1A1 (0.36) | CA2ALDH1A1TDP1 | |
| SCHEMBL4621590 | 0.77 | — | — | |
| SCHEMBL28975567 | 0.74 | — | — | |
| SCHEMBL10493688 | 0.72 | — | — | |
| SCHEMBL8708258 | 0.72 | CES1 (0.39) | ALDH1A1CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1060161-A1 | MATRIX METALLOPROTEINASE INHIBITORS | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044989-A1 | MATRIX METALLOPROTEINASE INHIBITORS | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1999-09-10 | — | — | WO | disclosed |
| US-4354907-A | TERTIARY OR QUATERNARY SALTS OF AMINOALKYL ACRYLATES | JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) | 1982-10-19 | — | — | US | disclosed |