Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA4 | P22748 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 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 | |
|---|---|---|---|---|
| SCHEMBL4301863 | 1.00 | SIGMAR1 (0.48) | SIGMAR1ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL4308949 | 0.87 | CHRM1 (0.49) | SIGMAR1LMNAMAPTHPGDABL1 | |
| SCHEMBL4307522 | 0.87 | CHRM1 (0.49) | SIGMAR1LMNAMAPTHPGDABL1 | |
| SCHEMBL4308951 | 0.84 | MEN1 (0.46) | MEN1KMT2ACA1CA2CA4 | |
| SCHEMBL4301981 | 0.81 | HPGD (0.48) | SIGMAR1MAPTHPGDMEN1KMT2A | |
| SCHEMBL4301970 | 0.81 | HPGD (0.48) | SIGMAR1MAPTHPGDMEN1KMT2A | |
| SCHEMBL4312869 | 0.80 | CA1 (0.53) | LMNAMAPTMEN1KMT2ACA1 | |
| SCHEMBL4301386 | 0.80 | CA1 (0.53) | LMNAMAPTMEN1KMT2ACA1 | |
| SCHEMBL14301937 | 0.79 | HTR7 (0.59) | ALDH1A1KDM4ELMNAHPGDHTT | |
| SCHEMBL2131896 | 0.77 | ALDH1A1 (0.60) | ALDH1A1KDM4ELMNAHPGDHTT |
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-2054398-A1 | NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER | Korea Research Institute of Bioscience and Biotechnology (KR) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008018778-A1 | NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2008-02-14 | — | — | WO | disclosed |