Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 11/20 | 0.42 |
| ▸ | TMPRSS6 | Q8IU80 | 4/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9253361 | 0.95 | CA1 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9252892 | 0.91 | CA12 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9248732 | 0.89 | CA1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9251086 | 0.87 | CA1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9251150 | 0.84 | HDAC1 (0.50) | PTGER4HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL9252002 | 0.83 | CA1 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL8863892 | 0.83 | HDAC1 (0.49) | PTGER4HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL9253990 | 0.82 | CA1 (0.47) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9254928 | 0.82 | HDAC1 (0.47) | CA12CA1CA2CA9F2 | |
| SCHEMBL9249307 | 0.82 | HDAC1 (0.47) | CA12CA1CA2CA9F2 |
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-5434150-A | Anticoagulants, cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1995-07-18 | — | — | US | disclosed |
| EP-0531883-A1 | Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-03-17 | — | — | EP | disclosed |