Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL18711302 | 0.84 | SPR (0.40) | SMN1; SMN2CYP1A2USP2HPGDALDH1A1 | |
| SCHEMBL23344765 | 0.83 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP1A2TDP1KDM4E | |
| SCHEMBL20682408 | 0.82 | PDK2 (0.34) | PDK2MEN1KMT2AHSD11B1RORC | |
| SCHEMBL23345230 | 0.73 | CYP4F2 (0.40) | SMN1; SMN2CYP1A2TDP1MEN1KMT2A | |
| SCHEMBL23345256 | 0.73 | SMN1; SMN2 (0.36) | SMN1; SMN2KDM4E | |
| SCHEMBL19567613 | 0.73 | HSD11B1 (0.30) | HSD11B1 | |
| SCHEMBL14970391 | 0.71 | SMN1; SMN2 (0.50) | SMN1; SMN2NOTUMCYP1A2TDP1PDK2 | |
| SCHEMBL16907554 | 0.71 | SMN1; SMN2 (0.50) | SMN1; SMN2NOTUMCYP1A2TDP1ALDH1A1 | |
| SCHEMBL18702220 | 0.71 | SPR (0.39) | CYP1A2PDK2USP2ALDH1A1HSD11B1 | |
| SCHEMBL21075587 | 0.71 | ATM (0.39) | SMN1; SMN2HSD11B1 |
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-3793565-B1 | MCL-1 INHIBITORS | GILEAD SCIENCES INC (US) | 2022-01-05 | — | — | EP | disclosed |
| WO-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |