Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | XBP1 | P17861 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Dipyridyl SCHEMBL27745333 | 0.81 | KDM4E (0.54) | TDP1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| Formic Acid Methyl Ester SCHEMBL28046510 | 0.81 | GRM5 (0.39) | GRM5ALDH1A1SMN1; SMN2NPC1RAB9A | |
| Tert-Butyl Formate SCHEMBL27549647 | 0.79 | TDP1 (0.57) | TDP1GRM5ALDH1A1SMN1; SMN2NPC1 | |
| Tert-Butyl Formate SCHEMBL27580501 | 0.79 | TDP1 (0.46) | TDP1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| Acetaldehyde SCHEMBL27271887 | 0.78 | GRM5 (0.42) | TDP1GRM5ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL28151639 | 0.77 | GRM5 (0.41) | TDP1GRM5ALDH1A1SMN1; SMN2NPC1 | |
| Formamide SCHEMBL27759772 | 0.77 | NOS3 (0.41) | GRM5ALDH1A1SMN1; SMN2NPC1RAB9A | |
| Formic Acid SCHEMBL27263940 | 0.77 | ALDH1A1 (0.43) | GRM5ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29599136 | 0.76 | KDM4E (0.50) | TDP1GRM5ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL2684 | 0.76 | — | — |
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-102666507-A | Oxazine derivatives and their use in the treatment of neurological disorders | NOVARTIS AG | 2012-09-12 | — | — | CN | disclosed |
| CN-102471293-A | Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders | NOVARTIS AG | 2012-05-23 | — | — | CN | disclosed |