Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | PRKCA | P17252 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CCNH | P51946 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21799061 | 0.88 | ABL1 (0.41) | ABL1PDGFRBBCRPDGFRAPRKCA | |
| SCHEMBL30114760 | 0.88 | ABL1 (0.41) | ABL1PDGFRBBCRPDGFRAPRKCA | |
| SCHEMBL22503491 | 0.86 | ABL1 (0.49) | ABL1PDGFRBBCRPDGFRAPRKCA | |
| SCHEMBL21799077 | 0.81 | — | — | |
| SCHEMBL20187902 | 0.79 | TRPV1 (0.52) | ABL1PDGFRBBCRPDGFRAPRKCA | |
| SCHEMBL30530305 | 0.79 | TRPV1 (0.52) | ABL1PDGFRBBCRPDGFRAPRKCA | |
| SCHEMBL20188166 | 0.78 | AURKA (0.44) | ABL1PDGFRBPDGFRAAURKA | |
| SCHEMBL30530307 | 0.78 | AURKA (0.44) | ABL1PDGFRBPDGFRAAURKA | |
| SCHEMBL21799125 | 0.77 | PIKFYVE (0.43) | TRPV1 | |
| SCHEMBL21799092 | 0.76 | TRPV1 (0.51) | ABL1PDGFRBBCRPDGFRAPRKCA |
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 |