Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 5/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MDM4 | O15151 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL5318489 | 0.81 | GSK3B (0.56) | GSK3BMGLLMDM2CES2CES1 | |
| SCHEMBL627839 | 0.80 | CES2 (0.53) | NTSR1CES2CES1KDM4EGAA | |
| SCHEMBL5339310 | 0.78 | CES2 (0.48) | GSK3BMDM2CES2CES1CYP2D6 | |
| SCHEMBL4016467 | 0.74 | CES2 (0.52) | NTSR1CES2CES1CYP2D6SLC6A2 | |
| SCHEMBL13178294 | 0.74 | GSK3B (0.60) | GSK3BCES2CES1CYP3A4CYP2D6 | |
| SCHEMBL7144713 | 0.73 | CYP19A1 (0.53) | CYP3A4KDM4EGAAALOX15TSHR | |
| SCHEMBL5334151 | 0.72 | KMT2A (0.53) | GSK3BMGLLMDM2CES2CES1 | |
| SCHEMBL5319603 | 0.72 | KMT2A (0.53) | GSK3BMGLLMDM2CES2CES1 | |
| Bromide SCHEMBL6284312 | 0.72 | CYP19A1 (0.51) | CYP3A4KDM4EGAAALOX15TSHR | |
| SCHEMBL10392108 | 0.71 | MDM2 (0.47) | MDM2CES2CES1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3459945-A1 | BCL-2/BCL-XL INHIBITORS FOR USE IN THE TREATMENT OF CANCER | The Regents of The University of Michigan (US) | 2019-03-27 | — | — | EP | disclosed |
| EP-2668180-B1 | BCL-2/BCL-XL INHIBITORS FOR USE IN THE TREATMENT OF CANCER | UNIV MICHIGAN REGENTS (US) | 2018-08-01 | — | — | EP | disclosed |