Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 2/20 | 0.42 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.41 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | 0.78 | KDM4E (0.62) | IP6K1SLC16A3SLC16A1PPARANPC1 | |
| SCHEMBL14876210 | 0.76 | ALDH1A1 (0.46) | IP6K1SLC16A3SLC16A1NPC1RAB9A | |
| SCHEMBL28041767 | 0.76 | IP6K1 (0.44) | IP6K1SLC16A3SLC16A1NPC1RAB9A | |
| SCHEMBL14876216 | 0.74 | KDM4E (0.46) | IP6K1SLC16A3SLC16A1NPC1RAB9A | |
| SCHEMBL5314271 | 0.73 | IP6K1 (0.46) | IP6K1SLC16A3SLC16A1SMN1; SMN2POLB | |
| SCHEMBL28097365 | 0.70 | IP6K1 (0.42) | IP6K1SLC16A3SLC16A1PPARARAB9A | |
| SCHEMBL1270728 | 0.70 | LMNA (0.47) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL17602155 | 0.68 | KDM4C (0.50) | IP6K1PPARA | |
| SCHEMBL5182572 | 0.68 | NR1H2 (0.50) | HDAC1CRHBPCRHR2 | |
| SCHEMBL27980354 | 0.68 | LOXL2 (0.41) | NPC1RAB9ASMN1; SMN2 |
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 |