Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.43 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14876436 | 0.80 | KDM4E (0.62) | IP6K1SLC16A3SLC16A1NR1H2NR1H3 | |
| SCHEMBL28097365 | 0.77 | IP6K1 (0.42) | IP6K1SLC16A3SLC16A1RAB9AMEN1 | |
| SCHEMBL28041765 | 0.76 | IP6K1 (0.43) | IP6K1SLC16A3SLC16A1HDAC1NPC1 | |
| SCHEMBL14876216 | 0.76 | KDM4E (0.46) | IP6K1SLC16A3SLC16A1HDAC1L3MBTL1 | |
| SCHEMBL14876210 | 0.76 | ALDH1A1 (0.46) | IP6K1SLC16A3SLC16A1NR1H2NR1H3 | |
| SCHEMBL5314271 | 0.75 | IP6K1 (0.46) | IP6K1SLC16A3SLC16A1NR1H2NR1H3 | |
| SCHEMBL27966141 | 0.74 | HSP90AA1 (0.44) | L3MBTL1AKR1B1KDM5B | |
| Hydrochloric Acid SCHEMBL14812774 | 0.73 | AKR1B1 (0.57) | SLC16A3SLC16A1NR1H2NR1H3HDAC1 | |
| SCHEMBL5182572 | 0.70 | NR1H2 (0.50) | NR1H2NR1H3HDAC1HDAC3 | |
| SCHEMBL27532059 | 0.69 | POLB (0.51) | L3MBTL1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103958475-B | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-103958521-A | Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-103958475-A | Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |