Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15499261 | 0.91 | HTT (0.44) | HTTKDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24837668 | 0.88 | GAA (0.41) | HTTKDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6602752 | 0.81 | TSHR (0.35) | SLC6A2SLC6A4SLC6A3LMNATSHR | |
| SCHEMBL22969999 | 0.81 | TSHR (0.32) | SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL26614403 | 0.79 | TSHR (0.38) | SLC6A2SLC6A4SLC6A3GAALMNA | |
| SCHEMBL10129066 | 0.79 | TSHR (0.38) | SLC6A2SLC6A4SLC6A3GAALMNA | |
| SCHEMBL20147315 | 0.79 | HTT (0.37) | HTTKDM4EGAALMNATSHR | |
| SCHEMBL23369660 | 0.75 | HTT (0.44) | HTTKDM4EGAALMNATSHR | |
| SCHEMBL22722883 | 0.75 | TSHR (0.38) | SLC6A2SLC6A4SLC6A3LMNATSHR | |
| SCHEMBL10002470 | 0.74 | SMN1; SMN2 (0.42) | HTTKDM4ESLC6A2SLC6A4SLC6A3 |
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-2016167511-A2 | N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2016-10-20 | — | — | WO | disclosed |