Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CALCA | P06881 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30785013 | 0.78 | NPSR1 (0.62) | NCF1HRH3MAPK1KMT2ANPSR1 | |
| SCHEMBL18239956 | 0.77 | HRH3 (0.50) | NCF1HRH3 | |
| SCHEMBL18239931 | 0.77 | HRH3 (0.50) | NCF1HRH3 | |
| SCHEMBL11508115 | 0.76 | KCNH3 (0.47) | MAPTNPC1JAK2RAB9ATSHR | |
| SCHEMBL28455357 | 0.74 | TSHR (0.60) | MAPTNPC1JAK2RAB9ATSHR | |
| SCHEMBL31528560 | 0.74 | MAPT (0.54) | MAPTNPC1JAK2RAB9ATSHR | |
| SCHEMBL581128 | 0.74 | MAPT (0.54) | MAPTNPC1JAK2RAB9ATSHR | |
| SCHEMBL183387 | 0.74 | MAPT (0.70) | MAPTNPC1JAK2RAB9ATSHR | |
| SCHEMBL12513085 | 0.73 | HTR7 (0.47) | MAPTNPC1RAB9ATSHRMAPK1 | |
| SCHEMBL14869410 | 0.72 | CA1 (0.56) | HTR7 |
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-111662242-B | Heterocyclic IDH mutant inhibitor, preparation method and application thereof | 中国药科大学 | 2023-10-24 | — | — | CN | disclosed |
| CN-111662242-A | Heterocyclic IDH mutant inhibitor, preparation method and application thereof | 中国药科大学 | 2020-09-15 | — | — | CN | disclosed |