Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.50 |
| ▸ | NOTCH3 | Q9UM47 | 1/20 | 0.50 |
| ▸ | CCKBR | P32239 | 11/20 | 0.47 |
| ▸ | CCKAR | P32238 | 6/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15629440 | 1.00 | MEN1 (0.50) | MEN1ALDH1A1KMT2ANOTCH1NOTCH3 | |
| SCHEMBL644829 | 0.88 | MEN1 (0.58) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| SCHEMBL4700911 | 0.88 | MEN1 (0.58) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| SCHEMBL642305 | 0.88 | MEN1 (0.58) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| Bromide SCHEMBL8422518 | 0.87 | MEN1 (0.56) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| SCHEMBL2526769 | 0.86 | CCKBR (0.56) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| SCHEMBL19988836 | 0.86 | GABRA1 (0.51) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| Bromide SCHEMBL8422516 | 0.86 | MEN1 (0.55) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| SCHEMBL6005722 | 0.85 | ALDH1A1 (0.50) | MEN1ALDH1A1KMT2ACCKBRCCKAR | |
| SCHEMBL15629459 | 0.85 | CCKBR (0.53) | MEN1ALDH1A1KMT2ANOTCH1NOTCH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2897945-B1 | BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-12-21 | — | — | EP | disclosed |