Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL15416446 | 0.71 | NEK2 (0.35) | NEK2OPRM1 | |
| SCHEMBL36856 | 0.71 | NEK2 (0.32) | NEK2OPRM1 | |
| Hydrochloric Acid SCHEMBL7260312 | 0.70 | NEK2 (0.31) | NEK2 | |
| SCHEMBL381073 | 0.67 | NEK2 (0.34) | NEK2OPRM1 | |
| SCHEMBL2604297 | 0.67 | NEK2 (0.32) | NEK2CRBNOPRM1 | |
| SCHEMBL17277743 | 0.65 | NEK2 (0.31) | NEK2 | |
| SCHEMBL22829243 | 0.64 | — | — | |
| SCHEMBL2527186 | 0.64 | NEK2 (0.41) | NEK2CRBN | |
| SCHEMBL13282119 | 0.64 | NEK2 (0.46) | NEK2CRBNOPRM1 | |
| SCHEMBL102823 | 0.62 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023232776-A1 | HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2023-12-07 | — | — | WO | claimed |
| WO-2023232776-A1 | HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2023-12-07 | — | — | WO | disclosed |
| CN-111788193-B | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2023-04-04 | — | — | CN | disclosed |
| EP-2931040-A1 | METHODS AND COMPOSITIONS OF TREATING HIV INFECTION | Vanderbilt University (US) | 2015-10-21 | — | — | EP | disclosed |
| EP-2931277-A1 | METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS | Vanderbilt University (US) | 2015-10-21 | — | — | EP | disclosed |
| EP-2760447-A1 | ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS | Vanderbilt University (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2014093557-A1 | METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS | VANDERBILT UNIVERSITY (US) | 2014-06-19 | — | — | WO | disclosed |
| WO-2014093553-A1 | METHODS AND COMPOSITIONS OF TREATING HIV INFECTION | VANDERBILT UNIVERSITY (US) | 2014-06-19 | — | — | WO | disclosed |
| WO-2013049773-A1 | ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS | VANDERBILT UNIVERSITY (US) | 2013-04-04 | — | — | WO | disclosed |