Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 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 | |
|---|---|---|---|---|
| SCHEMBL18291497 | 0.84 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL20038503 | 0.84 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3MAP4K1CDK4 | |
| SCHEMBL20249410 | 0.82 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MAP4K1CDK4 | |
| SCHEMBL30797129 | 0.81 | ELANE (0.44) | CHRNB2CHRNA4MAP4K1ELANECDK4 | |
| SCHEMBL27250765 | 0.78 | HRH3 (0.47) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL17689121 | 0.74 | HDAC6 (0.40) | CHRNB2CHRNA4ELANEKCNH2DRD3 | |
| SCHEMBL20038550 | 0.71 | CHRNB2 (0.49) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL18291389 | 0.71 | CHRNB2 (0.49) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL25707165 | 0.71 | CHRNB2 (0.49) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL255543 | 0.71 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |