Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 6/20 | 0.55 |
| ▸ | FAAH | O00519 | 3/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | CPA1 | P15085 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL11663922 | 0.88 | TP53 (0.56) | TP53CES1FAAHPPARGPPARA | |
| Ethylbenzene SCHEMBL27323077 | 0.84 | TP53 (0.78) | TP53CES1PPARGPPARAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7850280 | 0.82 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP2C19CYP1A2NPC1 | |
| Ethylbenzene SCHEMBL28436435 | 0.81 | TP53 (0.74) | TP53CES1PPARGPPARAALDH1A1 | |
| Ethylbenzene SCHEMBL27596106 | 0.81 | TP53 (0.74) | TP53CES1PPARGPPARAALDH1A1 | |
| Ethylbenzene SCHEMBL10979046 | 0.81 | TP53 (0.74) | TP53CES1PPARGPPARAALDH1A1 | |
| Ethylbenzene SCHEMBL216251 | 0.81 | TP53 (0.93) | TP53CES1PPARGPPARAALDH1A1 | |
| Ethylbenzene SCHEMBL28056495 | 0.81 | TP53 (0.93) | TP53CES1PPARGPPARAALDH1A1 | |
| Ethylbenzene SCHEMBL9474534 | 0.81 | TP53 (0.93) | TP53CES1PPARGPPARAALDH1A1 | |
| Ethylbenzene SCHEMBL28009971 | 0.81 | TP53 (0.93) | TP53CES1PPARGPPARAALDH1A1 |
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-113620934-B | Alkylation method of nitrogen-containing heterocyclic compound in visible light-mediated micro-reaction device | 南京先进生物材料与过程装备研究院有限公司 | 2023-07-07 | — | — | CN | claimed |
| CN-113620934-B | Alkylation method of nitrogen-containing heterocyclic compound in visible light-mediated micro-reaction device | 南京先进生物材料与过程装备研究院有限公司 | 2023-07-07 | — | — | CN | disclosed |
| US-5919756-A | CHLORORIENTICIN A ANTIBIOTIC | ELI LILLY AND COMPANY (US) | 1999-07-06 | — | — | US | disclosed |