Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 6/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.45 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13753811 | 0.84 | ALDH1A1 (0.74) | ALDH1A1ALOX12MAPK1GAAMEN1 | |
| SCHEMBL19460133 | 0.83 | TAS1R3 (0.50) | ALDH1A1ALOX12MAPK1MEN1KMT2A | |
| SCHEMBL19465037 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPK1MEN1KMT2AKDM4E | |
| SCHEMBL4625442 | 0.80 | TUBB1 (0.58) | ALDH1A1MEN1KMT2AKDM4ETUBB1 | |
| SCHEMBL31679677 | 0.77 | TUBB1 (0.54) | ALDH1A1MAPK1MEN1KMT2AKDM4E | |
| SCHEMBL31099233 | 0.75 | MAPK1 (0.66) | ALDH1A1ALOX12MAPK1MEN1KMT2A | |
| SCHEMBL23734449 | 0.74 | TUBB1 (0.55) | ALDH1A1GAAMEN1KMT2AKDM4E | |
| SCHEMBL907576 | 0.74 | TPMT (0.56) | ALDH1A1MEN1KMT2AKDM4ETUBB1 | |
| SCHEMBL20402962 | 0.73 | ALDH1A1 (0.55) | ALDH1A1ALOX12MAPK1MEN1KMT2A | |
| SCHEMBL11740426 | 0.73 | MAPK1 (0.62) | ALDH1A1ALOX12MAPK1GAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9951058-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2018-04-24 | — | — | US | disclosed |