Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.60 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20188707 | 0.88 | AURKA (0.47) | AURKAPTK2CCNT1CDK2CDK9 | |
| SCHEMBL20188200 | 0.88 | AURKA (0.53) | AURKAKMT2A | |
| SCHEMBL30114845 | 0.88 | AURKA (0.53) | AURKAKMT2A | |
| SCHEMBL20188249 | 0.85 | AURKA (0.59) | AURKAPTK2SMN1; SMN2TSHRKMT2A | |
| SCHEMBL30114850 | 0.85 | AURKA (0.45) | AURKA | |
| SCHEMBL20187976 | 0.85 | AURKA (0.45) | AURKA | |
| SCHEMBL20188007 | 0.84 | AURKA (0.45) | AURKA | |
| SCHEMBL20188270 | 0.83 | — | — | |
| SCHEMBL30114704 | 0.83 | — | — | |
| SCHEMBL21799092 | 0.82 | TRPV1 (0.51) | AURKANPC1RAB9AALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544685-A1 | HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF | Development Center for Biotechnology (TW) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098250-A1 | HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2018-05-31 | — | — | WO | disclosed |