Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7843 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL73388 | 0.83 | MAPT (0.48) | CA1CA2NPC1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL1712305 | 0.80 | MAPT (0.46) | CA1CA2NPC1MAPTKDM4E | |
| Phosphoric Acid SCHEMBL28045407 | 0.77 | MAPT (0.48) | CA1CA2NPC1MAPTKDM4E | |
| Sulfuric Acid SCHEMBL7599722 | 0.77 | CA1 (0.54) | CA1CA2NPC1MAPTKDM4E | |
| Oxalic Acid SCHEMBL28045429 | 0.77 | NPC1 (0.54) | CA1CA2NPC1MAPTKDM4E | |
| Nitric Acid SCHEMBL28280438 | 0.74 | MAPT (0.54) | CA1CA2NPC1MAPTKDM4E | |
| 4-Chloroaniline SCHEMBL28379068 | 0.73 | MEN1 (0.54) | CA1CA2NPC1MAPTKDM4E | |
| SCHEMBL31332184 | 0.73 | PTGIR (0.49) | CA1CA2NPC1MAPTKDM4E | |
| SCHEMBL7412496 | 0.73 | MAOA (0.58) | CA2CA9CA14MAOAMAOB |
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-110981790-B | 1,4-dihydropyridine derivative and synthetic method thereof | 曲阜师范大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-110981790-A | 1, 4-dihydropyridine derivative and synthesis method thereof | 曲阜师范大学 | 2020-04-10 | — | — | CN | disclosed |