Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL276808 | 0.87 | — | — | |
| SCHEMBL9285670 | 0.87 | TSHR (0.92) | TSHRALDH1A1TDP1THRBFAAH | |
| SCHEMBL3164 | 0.87 | — | — | |
| Hexane SCHEMBL8845002 | 0.87 | TSHR (0.92) | TSHRALDH1A1TDP1THRBFAAH | |
| Methylene Chloride SCHEMBL25428166 | 0.83 | — | — | |
| Butyl Chloride SCHEMBL8040894 | 0.83 | TSHR (0.86) | TSHRALDH1A1TDP1THRBFAAH | |
| SCHEMBL5575281 | 0.83 | TSHR (1.00) | TSHRALDH1A1TDP1THRBFAAH | |
| Fluoride SCHEMBL21873339 | 0.83 | — | — | |
| SCHEMBL22186971 | 0.83 | TSHR (1.00) | TSHRALDH1A1TDP1THRBFAAH | |
| SCHEMBL11742005 | 0.83 | TSHR (1.00) | TSHRALDH1A1TDP1THRBFAAH |
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-105017056-B | Phenylpropen ketone derivatives and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-02-01 | — | — | CN | disclosed |
| CN-105085406-A | Benzimidazole ring-containing propiolamide derivative, preparation method, pharmaceutical composition and application thereof | INST MATERIA MEDICA CAMS | 2015-11-25 | — | — | CN | disclosed |
| CN-105017056-A | Phenyl acrylketone derivative and preparation method, drug composition and application thereof | INST MATERIA MEDICA CAMS | 2015-11-04 | — | — | CN | disclosed |