Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL5578262 | 0.89 | L3MBTL1 (0.65) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| SCHEMBL4501555 | 0.89 | L3MBTL1 (0.70) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| SCHEMBL1534180 | 0.86 | ALDH1A1 (0.54) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| SCHEMBL7389188 | 0.80 | L3MBTL1 (0.73) | POLBRAB9AL3MBTL1HRH3NPC1 | |
| SCHEMBL2899901 | 0.79 | ALDH1A1 (0.63) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| SCHEMBL11200681 | 0.78 | L3MBTL1 (0.76) | L3MBTL1HRH3SMN1; SMN2KMT2A | |
| SCHEMBL15858005 | 0.78 | ALDH1A1 (0.53) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| SCHEMBL8325711 | 0.78 | GRM2 (0.54) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| SCHEMBL2203678 | 0.78 | ALDH1A1 (0.53) | ALDH1A1POLBRAB9AL3MBTL1HTT | |
| Hydrochloric Acid SCHEMBL4767938 | 0.78 | ALDH1A1 (0.61) | ALDH1A1POLBRAB9AL3MBTL1HTT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-102958922-A | 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds | HOFFMANN LA ROCHE | 2013-03-06 | — | — | CN | disclosed |