Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.44 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27374761 | 0.88 | L3MBTL1 (0.57) | L3MBTL1ALDH1A1POLBMAPK1LMNA | |
| SCHEMBL28028511 | 0.86 | KMT2A (0.45) | L3MBTL1CACNA1ICACNA1GCACNA1HCNR2 | |
| SCHEMBL27911352 | 0.81 | LMNA (0.42) | L3MBTL1KCNH2ALDH1A1LMNANPC1 | |
| SCHEMBL27988925 | 0.79 | L3MBTL1 (0.45) | L3MBTL1CACNA1ICACNA1GCACNA1HCNR2 | |
| SCHEMBL27039792 | 0.78 | CACNA1I (0.45) | L3MBTL1CACNA1ICACNA1GCACNA1HCNR2 | |
| SCHEMBL29601148 | 0.78 | CACNA1I (0.45) | L3MBTL1CACNA1ICACNA1GCACNA1HCNR2 | |
| SCHEMBL27906089 | 0.78 | LMNA (0.54) | ALDH1A1LMNARAB9ASMN1; SMN2KDM4E | |
| SCHEMBL27714789 | 0.77 | ALDH1A1 (0.55) | ALDH1A1POLBLMNACYP1A2CYP2C9 | |
| SCHEMBL27951311 | 0.77 | ALDH1A1 (0.42) | L3MBTL1ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL6645927 | 0.75 | P4HTM (0.60) | L3MBTL1ALDH1A1LMNACYP1A2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102958922-B | 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |