Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.54 |
| ▸ | HTR3A | P46098 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 5/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24511029 | 0.83 | ESR1 (0.65) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL11486206 | 0.83 | ESR1 (0.58) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL5323563 | 0.80 | ESR1 (0.51) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL11142937 | 0.80 | TAAR1 (0.56) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL3823740 | 0.80 | TAAR1 (0.68) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL31138112 | 0.78 | CYP1A2 (0.41) | TAAR1TSHRNFKB1TDP1CYP2C19 | |
| Hydrochloric Acid SCHEMBL6986294 | 0.78 | TDP1 (0.69) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL9137323 | 0.77 | HRH1 (0.62) | TAAR1TSHRCYP2C19SLC6A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4696708 | 0.76 | HRH1 (0.60) | TAAR1TSHRCYP2C19SLC6A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6888113 | 0.76 | HRH1 (0.60) | TAAR1TSHRCYP2C19SLC6A2ALDH1A1 |
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-110387035-B | Demulsifier, preparation method thereof and application thereof in demulsification of thick oil containing asphaltene | 中国石油化工股份有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-110387035-A | Demulsifier and preparation method thereof and the application in asphaltenes thick oil emulsion breaking | 中国石油化工股份有限公司 | 2019-10-29 | — | — | CN | disclosed |