Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 3/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996429 | 0.89 | ALDH1A1 (0.40) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL8112059 | 0.87 | KMT2A (0.47) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL5514499 | 0.85 | KMT2A (0.56) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL7001029 | 0.83 | KMT2A (0.55) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL10514925 | 0.76 | ALDH1A1 (0.46) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL2100537 | 0.75 | PARP1 (0.54) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL2101407 | 0.75 | PARP1 (0.54) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL3590372 | 0.75 | PARP1 (0.54) | KMT2AALDH1A1MEN1GAAMAPT | |
| SCHEMBL7971002 | 0.75 | BRD4 (0.39) | ALDH1A1GAAMAPTPGRHSD17B10 | |
| SCHEMBL6999139 | 0.75 | AKR1B1 (0.39) | KMT2AALDH1A1MEN1GAAMAPT |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |