Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | FPR1 | P21462 | 1/20 | 0.34 |
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 | 0.89 | POLB (0.50) | CYP19A1MAPTKDM4EPOLBTP53 | |
| SCHEMBL19620533 | 0.88 | MAPT (0.42) | CYP19A1MAPTKDM4EPOLBTP53 | |
| SCHEMBL19620569 | 0.83 | PLA2G7 (0.39) | CYP19A1MAPTTP53MDM2PLA2G7 | |
| SCHEMBL19620522 | 0.81 | KDM4E (0.42) | MAPTKDM4EPOLBMDM2ALDH1A1 | |
| SCHEMBL19620542 | 0.81 | POLB (0.42) | CYP19A1MAPTKDM4EPOLBRAB9A | |
| SCHEMBL19620675 | 0.81 | MAPT (0.42) | MAPTKDM4EPOLBALDH1A1LMNA | |
| SCHEMBL19620507 | 0.81 | KDM4E (0.39) | CYP19A1MAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL19620570 | 0.81 | MAPT (0.39) | MAPTKDM4EPOLBTP53MDM2 | |
| SCHEMBL22902049 | 0.81 | MAPT (0.39) | CYP19A1MAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL19620689 | 0.80 | KDM4E (0.38) | CYP19A1MAPTKDM4EPOLBALDH1A1 |
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 |