Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.65 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.62 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | KRAS | P01116 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14760794 | 0.90 | ABCB1 (0.82) | ABCB1ABCG2CA1CA2KRAS | |
| SCHEMBL14760795 | 0.90 | ABCB1 (0.82) | ABCB1ABCG2CA1CA2KRAS | |
| SCHEMBL2221923 | 0.87 | RELA (0.68) | PTPN1NR1H4CA1CA2PTGS1 | |
| SCHEMBL2221920 | 0.87 | RELA (0.68) | PTPN1NR1H4CA1CA2PTGS1 | |
| SCHEMBL16257539 | 0.87 | NR1H4 (0.74) | ABCB1ABCG2NR1H4CA1CA2 | |
| SCHEMBL29803052 | 0.87 | NR1H4 (0.74) | ABCB1ABCG2NR1H4CA1CA2 | |
| SCHEMBL7096493 | 0.82 | ABCG2 (0.70) | ABCB1ABCG2NPC1PTPN1NR1H4 | |
| SCHEMBL16597316 | 0.81 | ABCG2 (0.72) | ABCG2NPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16597306 | 0.81 | ABCG2 (0.72) | ABCG2NPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7096880 | 0.80 | NR1H4 (0.74) | ABCB1NPC1PTPN1NR1H4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889874-B2 | Imidazolone-chalcone derivatives as potential anticancer agent and process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2014-11-18 | — | — | US | disclosed |