Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11257478 | 0.80 | CYP2A6 (0.35) | — | |
| SCHEMBL11256790 | 0.78 | KIF11 (0.44) | KIF11TSHRALDH1A1 | |
| SCHEMBL11239349 | 0.78 | ESR1 (0.48) | CYP3A4KIF11RAB9ATSHRALDH1A1 | |
| SCHEMBL11245391 | 0.78 | TSHR (0.39) | KIF11RAB9ATSHRALDH1A1 | |
| SCHEMBL11712752 | 0.77 | ATM (0.55) | ATMCYP2D6DRD2DRD4OPRM1 | |
| SCHEMBL11253680 | 0.77 | KIF11 (0.41) | ATMCYP2D6CYP3A4CYP1A2KIF11 | |
| SCHEMBL4484524 | 0.75 | DRD2 (0.56) | ATMCYP2D6DRD2DRD4OPRM1 | |
| SCHEMBL11248823 | 0.74 | CA1 (0.41) | CYP3A4CYP1A2KIF11NPSR1TSHR | |
| SCHEMBL10985043 | 0.71 | — | — | |
| SCHEMBL11252182 | 0.71 | L3MBTL1 (0.41) | CYP3A4NPSR1TSHRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4366170-A | 1,2-Dibromo-2-cyano-2-(aryl)ethane(propane) antimicrobial compounds | MERCK & CO., INC. (US) | 1982-12-28 | — | — | US | claimed |
| CN-110862292-B | Preparation method of 1-aryl-1, 2-dibromoethane | 中国科学院兰州化学物理研究所 | 2021-04-06 | — | — | CN | disclosed |
| CN-109134312-B | Preparation method of 2-phenyl acrylonitrile | 浙江大学 | 2020-10-16 | — | — | CN | disclosed |
| CN-110862292-A | Preparation method of 1-aryl-1, 2-dibromoethane | 中国科学院兰州化学物理研究所 | 2020-03-06 | — | — | CN | disclosed |
| US-4366170-A | 1,2-Dibromo-2-cyano-2-(aryl)ethane(propane) antimicrobial compounds | MERCK & CO., INC. (US) | 1982-12-28 | — | — | US | disclosed |