Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 10/20 | 0.42 |
| ▸ | MTOR | P42345 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1276351 | 0.87 | ADRA2C (0.46) | L3MBTL1MEN1KMT2A | |
| SCHEMBL18060958 | 0.79 | PIK3CA (0.47) | MAPTPIK3CAMTORHSD17B10KDM4E | |
| SCHEMBL12936268 | 0.78 | ADRA2C (0.42) | MEN1KMT2A | |
| SCHEMBL18060670 | 0.78 | KCNQ3 (0.47) | MAPTCYP3A4PIK3CAALDH1A1L3MBTL1 | |
| SCHEMBL18060894 | 0.77 | SMN1; SMN2 (0.43) | MAPTCYP3A4PIK3CAMTORHSD17B10 | |
| SCHEMBL18060751 | 0.77 | EGFR (0.49) | — | |
| SCHEMBL18060776 | 0.77 | KDM4E (0.48) | MAPTHSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL18060824 | 0.75 | PIK3CA (0.44) | MAPTPIK3CAMTORHSD17B10KDM4E | |
| SCHEMBL5765855 | 0.72 | MAPK1 (0.50) | MAPTPIK3CAMTORHSD17B10KDM4E | |
| SCHEMBL12806446 | 0.71 | ADRA2C (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3205647-B1 | 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2020-05-13 | — | — | EP | disclosed |
| EP-3205647-A2 | 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Memorial Sloan-Kettering Cancer Center (US) | 2017-08-16 | — | — | EP | disclosed |
| EP-2467142-B1 | 2-(Pyrimidin-5-yl)-thiopyrimidine derivatives as Hsp70 and Hsc70 modulators for the treatment of proliferative disorders | SLOAN KETTERING INST CANCER (US) | 2016-09-21 | — | — | EP | disclosed |