Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9543348 | 0.88 | DNM1 (0.42) | ALDH1A1CNR1CNR2DNM1LMNA | |
| SCHEMBL16599984 | 0.86 | DNM1 (0.41) | DNM1TLR2 | |
| SCHEMBL28001872 | 0.86 | DNM1 (0.46) | ALDH1A1CNR1CNR2DNM1LMNA | |
| SCHEMBL16930977 | 0.84 | GABBR2 (0.30) | — | |
| SCHEMBL19736674 | 0.82 | DNM1 (0.39) | ALDH1A1DNM1 | |
| SCHEMBL15286858 | 0.82 | DNM1 (0.48) | ALDH1A1DNM1 | |
| SCHEMBL9941922 | 0.81 | — | — | |
| SCHEMBL157672 | 0.80 | CNR2 (0.50) | ALDH1A1CNR1CNR2DNM1TSHR | |
| Hydrochloric Acid SCHEMBL9941885 | 0.79 | ALDH1A1 (0.34) | ALDH1A1CNR1CNR2DNM1TSHR | |
| SCHEMBL27932908 | 0.78 | CNR2 (0.44) | ALDH1A1CNR1CNR2DNM1TSHR |
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-3359533-B1 | QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2021-11-17 | — | — | EP | disclosed |
| WO-2017060406-A1 | QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-04-13 | — | — | WO | disclosed |