Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL240787 | 0.96 | — | — | |
| SCHEMBL51694 | 0.96 | — | — | |
| Bromide SCHEMBL29262820 | 0.90 | CYP2A6 (0.44) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Formaldehyde SCHEMBL28853578 | 0.87 | CYP2A6 (0.41) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| SCHEMBL1172873 | 0.84 | CYP2A6 (0.39) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| SCHEMBL29262819 | 0.84 | CYP2A6 (0.39) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| Boric Acid SCHEMBL30102650 | 0.84 | CYP2A6 (0.39) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| SCHEMBL440327 | 0.80 | ALDH1A1 (0.42) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| SCHEMBL8904326 | 0.78 | ALDH1A1 (0.46) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR | |
| SCHEMBL8905235 | 0.78 | ALDH1A1 (0.46) | CYP2A6ALOX12ALDH1A1HSD17B10TSHR |
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-105949246-B | A kind of double-nuclear ring metal complex of iridium and its preparation method and application | 苏州纳凯科技有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-105949246-A | Dinuclear cyclic metal iridium complex as well as preparation method and application thereof | 苏州纳凯科技有限公司 | 2016-09-21 | — | — | CN | disclosed |