Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL15620721 | 1.00 | PKM (0.47) | PKMTSHRALDH1A1TDP1HPGD | |
| SCHEMBL28300921 | 0.78 | TSHR (0.53) | PKMTSHRALDH1A1TDP1L3MBTL1 | |
| SCHEMBL12777765 | 0.77 | PKM (0.43) | PKMTSHRALDH1A1HPGDKDM4E | |
| SCHEMBL23086258 | 0.77 | PKM (0.49) | PKMTSHRALDH1A1HPGDPOLB | |
| SCHEMBL1355836 | 0.76 | TSHR (0.51) | PKMTSHRALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29561089 | 0.76 | TSHR (0.51) | PKMTSHRALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29046043 | 0.76 | PKM (0.55) | PKMTSHRALDH1A1TDP1HPGD | |
| SCHEMBL12253970 | 0.76 | PTPN1 (0.47) | PKMTDP1L3MBTL1MAPT | |
| SCHEMBL5153662 | 0.75 | PKM (0.43) | PKMTSHRALDH1A1TDP1HPGD | |
| SCHEMBL2381586 | 0.75 | TSHR (0.54) | PKMTSHRALDH1A1TDP1HPGD |
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-2897945-A1 | BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-07-29 | — | — | EP | disclosed |
| WO-2014047372-A1 | BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-03-27 | — | — | WO | disclosed |