Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL20037681 | 0.86 | PRMT5 (0.42) | LTA4H | |
| SCHEMBL20203580 | 0.84 | ALDH1A1 (0.50) | ALDH1A1LTA4HKDM4EPOLBACHE | |
| SCHEMBL18291394 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HSP90AA1HTTLTA4HKDM4E | |
| SCHEMBL20038553 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HSP90AA1HTTLTA4HKDM4E | |
| SCHEMBL4547913 | 0.82 | HRH3 (0.50) | ALDH1A1KDM4ETSHR | |
| SCHEMBL12028959 | 0.82 | HRH3 (0.47) | ALDH1A1KDM4E | |
| SCHEMBL25896863 | 0.81 | HRH3 (0.53) | ALDH1A1KDM4ETSHR | |
| SCHEMBL18291757 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HTTLTA4HKDM4ETSHR | |
| SCHEMBL12041186 | 0.80 | HRH3 (0.45) | LTA4HCHEK1 | |
| SCHEMBL20037663 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HTTLTA4HKDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |