Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25428412 | 0.82 | AKT2 (0.50) | AKT2KMT2ABRD4TDO2KDM4E | |
| SCHEMBL27725247 | 0.81 | KDM4E (0.44) | AKT2KMT2ABRD4TDO2ACHE | |
| SCHEMBL28883541 | 0.78 | AKT2 (0.47) | AKT2KMT2ABRD4TDO2KDM4E | |
| SCHEMBL28211222 | 0.78 | BRD4 (0.45) | AKT2KMT2ABRD4TDO2KDM4E | |
| SCHEMBL18923214 | 0.77 | CYP1A2 (0.41) | KMT2AACHEKDM4EMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL29250230 | 0.77 | AKT2 (0.46) | AKT2KMT2ABRD4TDO2KDM4E | |
| SCHEMBL538480 | 0.77 | CYP1A2 (0.45) | KMT2AACHEKDM4EMAPTTDP1 | |
| SCHEMBL30148931 | 0.77 | CYP1A2 (0.45) | KMT2AACHEKDM4EMAPTTDP1 | |
| SCHEMBL28457190 | 0.76 | AKT2 (0.48) | AKT2KMT2ABRD4TDO2KDM4E | |
| SCHEMBL30102566 | 0.75 | ACHE (0.39) | AKT2BRD4ACHEMAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109912501-A | A kind of ester drop probe of highly selective and big Stokes displacement and its preparation method and application | 湖南大学 | 2019-06-21 | — | — | CN | claimed |
| CN-110092724-A | A kind of preparation method of N, N- dimethyl-1-naphthylamine class compound | 湖南大学 | 2019-08-06 | — | — | CN | disclosed |
| CN-109912501-A | A kind of ester drop probe of highly selective and big Stokes displacement and its preparation method and application | 湖南大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-109912501-A | A kind of ester drop probe of highly selective and big Stokes displacement and its preparation method and application | 湖南大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-109912432-A | A kind of sweet-smelling alkynyl naphthalidine fluorescent chemicals, preparation method and application | 湖南大学 | 2019-06-21 | — | — | CN | disclosed |