Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL22902013 | 0.91 | CYP1A2 (0.33) | DPP4MEN1KMT2AATMCYP1A2 | |
| SCHEMBL19620529 | 0.89 | DPP4 (0.33) | DPP4MEN1KMT2AATMCYP1A2 | |
| SCHEMBL19620539 | 0.89 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19MAPTKDM4E | |
| SCHEMBL22902028 | 0.87 | HTR2A (0.34) | DPP4MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL15627599 | 0.84 | KDM4E (0.41) | MEN1KMT2AATMMAPTKDM4E | |
| SCHEMBL22902083 | 0.83 | KDM4E (0.39) | MEN1KMT2AGRM5MAPTKDM4E | |
| SCHEMBL19620645 | 0.83 | KDM4E (0.36) | CYP1A2CYP3A4CYP2C19GRM5MAPT | |
| SCHEMBL19620683 | 0.83 | HTR2C (0.32) | CYP1A2CYP3A4CYP2C19GRM5MAPT | |
| SCHEMBL19620541 | 0.83 | KDM4E (0.37) | CYP1A2CYP3A4CYP2C19MAPTKDM4E | |
| SCHEMBL19620536 | 0.80 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19MAPTNPSR1 |
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 |