Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4807750 | 0.95 | CA12 (0.57) | CA12CA1CA2CA9ABCG2 | |
| SCHEMBL6797398 | 0.79 | ABCG2 (0.56) | CA12CA1CA2CA9ABCG2 | |
| SCHEMBL7695744 | 0.79 | CA12 (0.68) | CA12CA1CA2CA9PDE10A | |
| SCHEMBL23319512 | 0.77 | ABCG2 (0.50) | ABCG2HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10094595 | 0.77 | NPC1 (0.51) | ABCG2HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2472176 | 0.77 | JAK2 (0.40) | CA12CA1CA2CA9ABCG2 | |
| SCHEMBL19851118 | 0.76 | CA12 (0.63) | CA12CA1CA2CA9ABCG2 | |
| SCHEMBL1859867 | 0.76 | CA12 (0.63) | CA12CA1CA2CA9ABCG2 | |
| SCHEMBL11394107 | 0.74 | CA12 (0.62) | CA12CA1CA2CA9PDE10A | |
| SCHEMBL11398989 | 0.74 | CA12 (0.62) | CA12CA1CA2CA9ABCG2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5650424-A | ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES | DR. KARL THOMAE GMBH (DE) | 1997-07-22 | — | — | US | disclosed |
| EP-0503548-B1 | Cyclic urea derivatives, medicaments contaning them and process for their preparation | THOMAE GMBH DR K (DE) | 1997-06-04 | — | — | EP | disclosed |
| US-5478942-A | Antiinflammatory agents, antiagglomerants | KARL THOMAE GMBH (DE) | 1995-12-26 | — | — | US | disclosed |
| US-5276049-A | Treatment of thrombosis | DR. KARL THOMAE GMBH (DE) | 1994-01-04 | — | — | US | disclosed |
| EP-0503548-A1 | Cyclic urea derivatives, medicaments contaning them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-09-16 | — | — | EP | disclosed |