Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 4/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | 0.95 | KDM4E (0.42) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620609 | 0.94 | MDM2 (0.38) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620548 | 0.94 | MEN1 (0.40) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620642 | 0.92 | ADK (0.38) | ADKKDM4EPOLBMAPTDAO | |
| SCHEMBL19620342 | 0.92 | MDM2 (0.36) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620605 | 0.90 | CNR1 (0.35) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620505 | 0.89 | LMNA (0.37) | KDM4EPOLBMAPTMEN1KMT2A | |
| SCHEMBL19620614 | 0.89 | SLC6A2 (0.36) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620607 | 0.88 | KDM4E (0.33) | ADKKDM4EPOLBMAPTRAB9A | |
| SCHEMBL19620569 | 0.87 | PLA2G7 (0.39) | MAPTMEN1KMT2ADAO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |