Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11067767 | 0.84 | CYP2A6 (0.47) | CYP2A6ALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL4790647 | 0.81 | ALDH1A1 (0.47) | MAPK14CA2ALDH1A1GLAMAPT | |
| SCHEMBL5307972 | 0.81 | ALDH1A1 (0.47) | MAPK14CA2ALDH1A1GLAMAPT | |
| SCHEMBL5307075 | 0.81 | ALDH1A1 (0.47) | MAPK14CA2ALDH1A1GLAMAPT | |
| SCHEMBL29950589 | 0.74 | CYP2A6 (0.54) | CYP2A6ALDH1A1HTR2AIMPDH2KDM4E | |
| SCHEMBL9532976 | 0.72 | PDK1 (0.45) | MAPK14CA2ALDH1A1GLAKDM4E | |
| SCHEMBL13117591 | 0.71 | MAPK14 (0.42) | MAPK14CA2KCNJ5KCNJ3ALDH1A1 | |
| SCHEMBL13117584 | 0.71 | MAPK14 (0.42) | MAPK14CA2KCNJ5KCNJ3ALDH1A1 | |
| SCHEMBL1133830 | 0.70 | ALDH1A1 (0.50) | MAPK14ALDH1A1KDM4EMEN1TP53 | |
| SCHEMBL7114314 | 0.70 | MAPK14 (0.46) | MAPK14CA2KCNJ5KCNJ3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2059555-A | — | — | None | — | — | JP | disclosed |
| JP-H0259555-A | INDOLE DERIVATIVE | KISSEI PHARMACEUT CO LTD | 1990-02-28 | — | — | JP | disclosed |