Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 4/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL18061042 | 0.90 | MAPT (0.41) | SMN1; SMN2RAB9AMAPTPOLBNPC1 | |
| SCHEMBL18060751 | 0.87 | EGFR (0.49) | — | |
| SCHEMBL18060670 | 0.86 | KCNQ3 (0.47) | SMN1; SMN2RAB9AL3MBTL1KCNQ3KCNQ2 | |
| SCHEMBL18060776 | 0.85 | KDM4E (0.48) | RAB9AHTTKMT2AMEN1HSD17B10 | |
| SCHEMBL12806147 | 0.79 | KCNQ3 (0.42) | SMN1; SMN2L3MBTL1KCNQ3KCNQ2MTOR | |
| SCHEMBL12806115 | 0.77 | MAPT (0.43) | SMN1; SMN2RAB9AL3MBTL1KMT2AMEN1 | |
| SCHEMBL18060648 | 0.77 | PLK4 (0.46) | L3MBTL1MTORPIK3CAKMT2AMEN1 | |
| SCHEMBL12806084 | 0.77 | UCHL3 (0.51) | — | |
| SCHEMBL12806382 | 0.76 | TDP1 (0.41) | L3MBTL1KMT2AMEN1USP2MAPT | |
| SCHEMBL1276167 | 0.76 | SMN1; SMN2 (0.44) | SMN1; SMN2RAB9AKMT2AMEN1GAA |
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 |