Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | ACACA | Q13085 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18731749 | 0.88 | CYP1A2 (0.58) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL1104820 | 0.88 | CYP1A2 (0.62) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL28317085 | 0.86 | CYP1A2 (0.56) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| Iodide SCHEMBL30847747 | 0.86 | CYP1A2 (0.60) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL7610953 | 0.83 | GRM2 (0.58) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL17932284 | 0.83 | CYP1A2 (0.53) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL28436719 | 0.83 | CYP1A2 (0.53) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL4059859 | 0.83 | MAPT (0.49) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL23496931 | 0.82 | CYP1A2 (0.56) | CYP1A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL30719607 | 0.82 | CYP1A2 (0.56) | CYP1A2ALDH1A1MAPTHPGDKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478500-A | Carboxylic acid-substituted（Miscellaneous）Aromatic ring analog derivative and its production and use | 广东东阳光药业有限公司 | 2017-03-08 | — | — | CN | disclosed |