Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11306415 | 0.76 | ESR2 (0.40) | MAPTSMN1; SMN2KDM4EALDH1A1CYP1A2 | |
| SCHEMBL27645536 | 0.74 | BCAT2 (0.43) | BCAT2PARP1MAPTNPC1LMNA | |
| SCHEMBL7852845 | 0.71 | ALDH1A1 (0.37) | BCAT2MAPTNPC1RAB9ALMNA | |
| SCHEMBL1662848 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28139054 | 0.70 | — | — | |
| SCHEMBL7841684 | 0.70 | DHFR (0.38) | PARP1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL7852167 | 0.70 | DHFR (0.38) | PARP1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL6151295 | 0.68 | PARP1 (0.47) | BCAT2PARP1MAPTNPC1LMNA | |
| SCHEMBL25298549 | 0.67 | MYC (0.39) | BCAT2MAPTNPC1RAB9ALMNA | |
| SCHEMBL1254367 | 0.67 | BRD4 (0.47) | PTGS1PDCD1CD274MEN1KMT2A |
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-105283451-B | Novel inhibitors of viral replication | 鲁汶天主教大学 | 2021-01-26 | — | — | CN | disclosed |
| CN-105283451-A | Novel viral replication inhibitors | UNIV LEUVEN KATH | 2016-01-27 | — | — | CN | disclosed |