Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSPB1 | P04792 | 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 | |
|---|---|---|---|---|
| SCHEMBL14658583 | 1.00 | CYP2C19 (0.44) | CYP2C19POLBPKMRAB9AMAPT | |
| SCHEMBL14659688 | 0.87 | CYP2C19 (0.47) | CYP2C19POLBPKMRAB9AMAPT | |
| SCHEMBL29481726 | 0.81 | GABRA5 (0.44) | CYP2C19POLBRAB9AMAPTKMT2A | |
| SCHEMBL16973106 | 0.81 | GABRA5 (0.44) | CYP2C19POLBRAB9AMAPTKMT2A | |
| SCHEMBL2367117 | 0.80 | TSHR (0.47) | POLBMAPTKMT2AALDH1A1 | |
| SCHEMBL26111592 | 0.80 | GABRA5 (0.43) | CYP2C19POLBPKMRAB9AMAPT | |
| SCHEMBL3142482 | 0.78 | GAA (0.57) | RAB9AMAPTKMT2ALMNASMN1; SMN2 | |
| SCHEMBL3937141 | 0.78 | MAPT (0.57) | CYP2C19POLBRAB9AMAPTKMT2A | |
| SCHEMBL13020594 | 0.77 | CYP2C19 (0.47) | CYP2C19POLBPKMRAB9AMAPT | |
| SCHEMBL28723952 | 0.76 | RAB9A (0.39) | CYP2C19PKMRAB9AMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |