Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTCH1 | P46531 | 11/20 | 0.52 |
| ▸ | NOTCH3 | Q9UM47 | 8/20 | 0.52 |
| ▸ | RBPJ | Q06330 | 3/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11810372 | 0.86 | GABRA1 (0.49) | NOTCH1NOTCH3RBPJGABRA1GABRA5 | |
| SCHEMBL15608509 | 0.86 | NOTCH1 (0.54) | NOTCH1NOTCH3RBPJGABRA1GABRA5 | |
| SCHEMBL15608508 | 0.86 | NOTCH1 (0.54) | NOTCH1NOTCH3RBPJGABRA1GABRA5 | |
| SCHEMBL15619420 | 0.82 | NOTCH1 (0.66) | NOTCH1NOTCH3RBPJ | |
| SCHEMBL23769503 | 0.78 | NOTCH1 (0.47) | NOTCH1NOTCH3RBPJMGAMGAA | |
| SCHEMBL30865023 | 0.78 | GABRA1 (0.46) | NOTCH1NOTCH3RBPJGABRA1GABRA5 | |
| SCHEMBL28124567 | 0.78 | GABRA1 (0.46) | NOTCH1NOTCH3RBPJGABRA1GABRA5 | |
| SCHEMBL15608190 | 0.76 | NOTCH1 (0.51) | NOTCH1NOTCH3RBPJ | |
| SCHEMBL15608191 | 0.76 | NOTCH1 (0.51) | NOTCH1NOTCH3RBPJ | |
| SCHEMBL15608401 | 0.75 | NOTCH1 (0.53) | NOTCH1NOTCH3RBPJGABRA1GABRA5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021163676-A1 | METHODS OF PREPARING CHIRAL BENZODIAZEPINONE DERIVATIVES | AYALA PHARMACEUTICALS INC. (US) | 2021-08-19 | — | — | WO | disclosed |