Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620550 | 0.81 | KMT2A (0.39) | SMN1; SMN2MAPTKDM4EPOLBCYP1A2 | |
| SCHEMBL19620491 | 0.81 | KDM4E (0.35) | SMN1; SMN2USP2TSHRPTPRCMAPT | |
| SCHEMBL19620603 | 0.80 | POLB (0.50) | SMN1; SMN2LMNAMAPTKDM4EPOLB | |
| SCHEMBL19620533 | 0.79 | MAPT (0.42) | SMN1; SMN2USP2MAPTKDM4EPOLB | |
| SCHEMBL15627559 | 0.79 | KMT2A (0.38) | LMNANOS3NOS2MAPTKDM4E | |
| SCHEMBL19620650 | 0.77 | CYP19A1 (0.42) | SMN1; SMN2USP2LMNATSHRMAPT | |
| SCHEMBL19620504 | 0.76 | TP53 (0.43) | SMN1; SMN2TSHRMAPTKDM4ECYP1A2 | |
| SCHEMBL15619870 | 0.75 | METAP2 (0.34) | SMN1; SMN2LMNANOS3NOS2MAPT | |
| SCHEMBL19620675 | 0.74 | MAPT (0.42) | SMN1; SMN2LMNAMAPTKDM4EPOLB | |
| SCHEMBL19620528 | 0.74 | DPP4 (0.36) | SMN1; SMN2TSHRMAPTKDM4EPOLB |
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 |