Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620603 | 0.83 | POLB (0.50) | POLBMAPTALDH1A1KMT2AMAPK1 | |
| SCHEMBL19620514 | 0.81 | KDM1A (0.33) | POLBMAPTALDH1A1KDM4EHTT | |
| SCHEMBL19620665 | 0.79 | HCRTR1 (0.38) | MAPTALDH1A1L3MBTL1NPSR1HTT | |
| SCHEMBL19620533 | 0.78 | MAPT (0.42) | POLBMAPTALDH1A1L3MBTL1USP2 | |
| SCHEMBL19620542 | 0.78 | POLB (0.42) | POLBMAPTKMT2AMEN1KDM4E | |
| SCHEMBL19620522 | 0.78 | KDM4E (0.42) | POLBMAPTALDH1A1L3MBTL1KMT2A | |
| SCHEMBL19620675 | 0.78 | MAPT (0.42) | POLBMAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL19620625 | 0.78 | CYP1A2 (0.34) | POLBMAPTALDH1A1TSHRMAPK1 | |
| SCHEMBL19620528 | 0.78 | DPP4 (0.36) | POLBMAPTTSHRKDM4E | |
| SCHEMBL19620732 | 0.77 | MEN1 (0.33) | POLBMAPTALDH1A1KMT2AMEN1 |
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-3345596-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2021-01-20 | — | — | EP | disclosed |
| EP-3345596-A2 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2018-07-11 | — | — | EP | disclosed |
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |