Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27678083 | 0.78 | HSP90AA1 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL27705952 | 0.77 | HSP90AA1 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL28775692 | 0.76 | HSP90AA1 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL18763979 | 0.76 | NPC1 (0.36) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL29370116 | 0.75 | HSP90AA1 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL241470 | 0.75 | HSP90AA1 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL29671062 | 0.75 | HSP90AA1 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL6320034 | 0.74 | CYP1A2 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL28156686 | 0.74 | CYP2C9 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL27485174 | 0.73 | PTGS2 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101014629-B | Catalysts for olefin polymerization, process for production of olefin polymers, olefin copolymers, novel transition metal compounds, and process for production of transition metal compounds | MITSUI CHEMICALS INC | 2011-06-22 | — | — | CN | disclosed |
| CN-101014629-A | Catalysts for olefin polymerization, process for production of olefin polymers, olefin copolymers, novel transition metal compounds, and process for production of transition metal compounds | MITSUI CHEMICALS INC (JP) | 2007-08-08 | — | — | CN | disclosed |