Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17859826 | 0.85 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19494244 | 0.81 | TSHR (0.44) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3103914 | 0.73 | POLB (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL17859828 | 0.73 | AKT1 (0.52) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL21013963 | 0.73 | PIK3CA (0.42) | CYP1A2KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL17859992 | 0.73 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL12986387 | 0.71 | KMT2A (0.46) | CYP1A2KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL17859827 | 0.71 | POLB (0.43) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL17859906 | 0.69 | PIK3CA (0.44) | PIK3CA | |
| SCHEMBL19466480 | 0.69 | PIK3CA (0.44) | PIK3CA |
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-3235816-B1 | 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2020-02-12 | — | — | EP | disclosed |