Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11402116 | 0.84 | CA12 (0.54) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL1547806 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL3306584 | 0.83 | SMN1; SMN2 (0.54) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL464374 | 0.81 | CA12 (0.54) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL1145669 | 0.80 | IDO1 (0.57) | SMN1; SMN2KDM4EALDH1A1CA12CA1 | |
| SCHEMBL2500056 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL10527677 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL95873 | 0.79 | ALDH1A1 (0.53) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL4369269 | 0.79 | ABCB1 (0.57) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 | |
| SCHEMBL622628 | 0.79 | CA12 (0.53) | SMN1; SMN2ABCB1KDM4EALDH1A1ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | claimed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4478833-A | ANTICOAGULANTS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |