Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 3/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.46 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CFD | P00746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30851832 | 0.81 | ALDH1A1 (0.47) | CACNA1HCACNA1GSSTR4MAPTCYP1A2 | |
| SCHEMBL27518122 | 0.80 | KDM4E (0.44) | MAPTCYP1A2KDM4EL3MBTL1CFD | |
| SCHEMBL459180 | 0.78 | MAPT (0.47) | CACNA1HCACNA1GSSTR4MAPTCYP1A2 | |
| SCHEMBL4538802 | 0.78 | TRPV1 (0.45) | SSTR4MAPTCYP1A2KDM4EAGBL2 | |
| SCHEMBL24180073 | 0.78 | SSTR4 (0.40) | CACNA1HCACNA1GSSTR4MAPTCYP1A2 | |
| SCHEMBL29796455 | 0.78 | SMN1; SMN2 (0.50) | MAPTCYP1A2KDM4EMEN1LMNA | |
| SCHEMBL7371029 | 0.78 | MAPT (0.42) | CACNA1HCACNA1GSSTR4MAPTCYP1A2 | |
| SCHEMBL30852196 | 0.78 | CACNA1H (0.39) | CACNA1HCACNA1GSSTR4MAPTCYP1A2 | |
| SCHEMBL16364773 | 0.78 | SMN1; SMN2 (0.50) | MAPTCYP1A2KDM4EMEN1LMNA | |
| SCHEMBL22553411 | 0.77 | MAPT (0.41) | MAPTCYP1A2KDM4ECFDLMNA |
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 |