Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28153224 | 0.99 | TSHR (0.54) | TSHRCRBNALDH1A1MAPTKDM4E | |
| SCHEMBL11859478 | 0.81 | KDM4E (0.56) | TSHRCRBNALDH1A1MAPTKDM4E | |
| SCHEMBL2215123 | 0.78 | CRBN (0.68) | TSHRCRBNALDH1A1DDB1OPRM1 | |
| SCHEMBL7086240 | 0.74 | NPC1 (0.52) | CRBNALDH1A1MAPTKDM4EGAA | |
| SCHEMBL19359470 | 0.74 | CRBN (0.56) | TSHRCRBNALDH1A1KDM4EDDB1 | |
| SCHEMBL21142551 | 0.73 | CHRNA7 (0.74) | TSHRCHRNA7OPRM1OPRD1OPRK1 | |
| SCHEMBL3402404 | 0.73 | CHRNA7 (0.74) | TSHRCHRNA7OPRM1OPRD1OPRK1 | |
| SCHEMBL31287273 | 0.72 | CRBN (0.60) | TSHRCRBNALDH1A1MAPTKDM4E | |
| SCHEMBL7435360 | 0.72 | CRBN (0.60) | TSHRCRBNALDH1A1MAPTKDM4E | |
| SCHEMBL20812624 | 0.72 | CRBN (0.57) | TSHRCRBNALDH1A1KDM4EDDB1 |
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-106928126-B | Amide derivative, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-106928126-A | A kind of amide derivatives and preparation method thereof and application pharmaceutically | 四川海思科制药有限公司 | 2017-07-07 | — | — | CN | disclosed |