Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.41 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7000563 | 0.81 | BRD4 (0.59) | BRD4KMT2ACA12CA1CA2 | |
| SCHEMBL9718483 | 0.75 | PTGS2 (0.50) | BRD4KMT2ACA12CA1CA2 | |
| SCHEMBL6997777 | 0.74 | BRD4 (0.42) | BRD4CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL6998152 | 0.73 | KDM4E (0.44) | BRD4ESR2KDM4E | |
| SCHEMBL8441892 | 0.69 | KDM4E (0.52) | BRD4KMT2ACA12CA1CA2 | |
| SCHEMBL11182848 | 0.69 | ALDH1A1 (0.56) | KMT2ACA12CA1CA2CA7 | |
| SCHEMBL6733562 | 0.68 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9151672 | 0.68 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL197522 | 0.68 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7646118 | 0.68 | CA12 (0.46) | BRD4KMT2ACA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0921119-B1 | Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them | SERVIER LAB (FR) | 2003-07-02 | — | — | EP | disclosed |
| WO-2000058267-A1 | ENHANCED SELECTIVITY IN THE SYNTHESIS OF DTPA ESTERS FOM DIETHYLENETRIAMINE | MALLINCKRODT INC. (US) | 2000-10-05 | — | — | WO | disclosed |
| US-6114360-A | Pyrrole compounds | ADIR ET COMPAGNIE (FR) | 2000-09-05 | — | — | US | disclosed |
| US-6063804-A | Pyrrole compounds | ADIR ET COMPAGNIE (FR) | 2000-05-16 | — | — | US | disclosed |
| EP-0921119-A1 | Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1999-06-09 | — | — | EP | disclosed |