Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.63 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.63 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.63 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.48 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29362282 | 0.86 | HTR1A (0.65) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL1520512 | 0.86 | HTR1A (0.65) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL6984768 | 0.82 | HTR1A (0.59) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL1902196 | 0.80 | PTPN1 (0.67) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| Hydrochloric Acid SCHEMBL7369035 | 0.79 | PTPN1 (0.65) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL29162913 | 0.77 | HRH3 (0.57) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL27902526 | 0.76 | CCNC (0.58) | HTR1AADRA1DADRA1AADRA1BPLK4 | |
| SCHEMBL6698838 | 0.76 | FERMT2 (1.00) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL9591573 | 0.76 | HTR1A (0.80) | HTR1AADRA1DADRA1AADRA1BFERMT2 | |
| SCHEMBL5511988 | 0.75 | MEN1 (0.59) | HTR1AADRA1DADRA1AADRA1BHDAC6 |
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-106156405-A | Organic synthetic route design method based on chemical reaction data storehouse | 上海网化化工科技有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-101595217-B | Positively charged water-soluble prodrugs of 1H-imidazo [4,5-c ] quinolin-4-amines and related compounds with fast skin penetration rate | 于崇曦 | 2016-06-08 | — | — | CN | disclosed |