Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 7/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL23562416 | 1.00 | HSD11B1 (0.49) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL23900563 | 0.86 | BTK (0.44) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL24543130 | 0.86 | BTK (0.44) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL23625485 | 0.86 | BTK (0.44) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL26014913 | 0.84 | HSD11B1 (0.48) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL26014916 | 0.82 | HSD11B1 (0.39) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL23281289 | 0.78 | NFKB1 (0.40) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL23562417 | 0.76 | HSD11B1 (0.47) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL24701274 | 0.75 | HSD11B1 (0.48) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL23161367 | 0.74 | HSD11B1 (0.40) | HSD11B1MEN1MAPK1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023150291-A2 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2023-08-10 | — | — | WO | disclosed |
| WO-2023081662-A1 | BICYCLIC DERIVATIVES AS CCR2 MODULATORS | ARIA PHARMACEUTICALS, INC. (US) | 2023-05-11 | — | — | WO | disclosed |
| WO-2022066864-A1 | SHMT INHIBITORS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2022-03-31 | — | — | WO | disclosed |
| US-9586978-B2 | Anti-viral compounds | ABBVIE INC. (US) | 2017-03-07 | — | — | US | disclosed |