Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620522 | 0.91 | KDM4E (0.42) | POLBMAPTKDM4ERAB9AADK | |
| SCHEMBL19620542 | 0.91 | POLB (0.42) | POLBMAPTKDM4ERAB9ASLC6A3 | |
| SCHEMBL19620533 | 0.91 | MAPT (0.42) | POLBMAPTKDM4ERAB9ASLC6A3 | |
| SCHEMBL19620675 | 0.91 | MAPT (0.42) | POLBMAPTKDM4ERAB9ASLC6A3 | |
| SCHEMBL19620650 | 0.89 | CYP19A1 (0.42) | POLBMAPTKDM4ERAB9AALDH1A1 | |
| SCHEMBL19620500 | 0.89 | ADK (0.40) | POLBMAPTKDM4EADKHTT | |
| SCHEMBL19620501 | 0.89 | MAPT (0.41) | POLBMAPTKDM4ERAB9AADK | |
| SCHEMBL19620570 | 0.88 | MAPT (0.39) | POLBMAPTKDM4ESLC6A3ALDH1A1 | |
| SCHEMBL19620507 | 0.88 | KDM4E (0.39) | POLBMAPTKDM4EALDH1A1CYP19A1 | |
| SCHEMBL22902049 | 0.88 | MAPT (0.39) | POLBMAPTKDM4ERAB9AALDH1A1 |
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 |