Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL481218 | 0.87 | CA12 (0.62) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL30776243 | 0.87 | CA12 (0.62) | ADRA1ATAAR1CA12CA1CA2 | |
| Isopropylamine SCHEMBL28069283 | 0.81 | HTR2A (0.54) | ADRA1ATAAR1CA12CA1CA2 | |
| Propylamine SCHEMBL27607874 | 0.80 | ADRA1A (0.56) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL15515783 | 0.78 | MAPT (0.47) | ADRA1ACA12CA1CA2CA7 | |
| SCHEMBL15515387 | 0.78 | NQO1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22118201 | 0.77 | CA12 (0.54) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL22005062 | 0.74 | F2 (0.49) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL7934262 | 0.72 | KDM4E (0.48) | TAAR1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL27933953 | 0.71 | ACHE (0.48) | ALDH1A1MAPTKMT2AKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106102836-A | Halogen treatment of heart attack and ischemic injury | 弗雷德哈钦森癌症研究中心 | 2016-11-09 | — | — | CN | disclosed |
| CN-102098914-A | Novel compositions and methods for treating hyperproliferative diseases | ALS MOUNTAIN LLC | 2011-06-15 | — | — | CN | disclosed |
| CN-101677971-A | The combination of 5-HT2A inverse agonist and antagonist and antipsychotic drug | ACADIA PHARM INC | 2010-03-24 | — | — | CN | disclosed |