Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16659605 | 0.89 | HCAR3 (0.40) | ABCB1ABCC1AAK1MAPTMAPK1 | |
| SCHEMBL31152809 | 0.84 | ATM (0.44) | MAPTALDH1A1HTT | |
| SCHEMBL29599933 | 0.84 | MAPK1 (0.44) | MAPTMAPK1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL2610943 | 0.84 | ATM (0.44) | MAPTALDH1A1HTT | |
| SCHEMBL31152812 | 0.84 | ATM (0.44) | MAPTALDH1A1HTT | |
| SCHEMBL26422995 | 0.84 | MAPK1 (0.44) | MAPTMAPK1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6176387 | 0.83 | MEN1 (0.44) | MAPTMAPK1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL28293275 | 0.80 | NPSR1 (0.46) | MAPTALDH1A1KMT2ANPSR1HTT | |
| SCHEMBL25320007 | 0.80 | CYP1A2 (0.38) | HCAR3ALDH1A1KMT2AKDM4EHTT | |
| SCHEMBL30508627 | 0.80 | CYP1A2 (0.38) | HCAR3ALDH1A1KMT2AKDM4EHTT |
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-108264511-B | Heterocyclic derivative, preparation method thereof and application thereof in medicine | 浙江海正药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |