Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | FOS | P01100 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4699968 | 0.88 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4699964 | 0.88 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4701552 | 0.87 | MAPT (0.38) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4700045 | 0.86 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4703153 | 0.86 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4704350 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4698966 | 0.85 | KMT2A (0.46) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL4705056 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL1774109 | 0.83 | ALDH1A1 (0.63) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 | |
| SCHEMBL16694984 | 0.80 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2SYKMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966212-B1 | DIAZEPINONES | MERCK PATENT GMBH (DE) | 2015-05-13 | — | — | EP | disclosed |
| EP-1966212-A1 | DIAZEPINONES | Merck Patent GmbH (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007079826-A1 | DIAZEPINONES | MERCK PATENT GMBH (DE) | 2007-07-19 | — | — | WO | disclosed |