Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFD | P00746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL23694656 | 0.79 | CFD (0.47) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL29738186 | 0.79 | CFD (0.47) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL30399893 | 0.79 | CFD (0.47) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL16955642 | 0.79 | CFD (0.47) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL19816269 | 0.79 | CFD (0.47) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL15771491 | 0.79 | ALDH1A1 (0.41) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL16951367 | 0.79 | CFD (0.44) | CFDCYP2D6NFKB1CYP1A2CYP3A4 | |
| SCHEMBL28045728 | 0.78 | CES2 (0.52) | CYP1A2CYP3A4ALDH1A1LMNAADRB1 | |
| SCHEMBL3815284 | 0.78 | CASP1 (0.46) | CYP2D6NFKB1CYP3A4ALDH1A1LMNA | |
| SCHEMBL1759613 | 0.78 | CASP1 (0.46) | CYP2D6NFKB1CYP3A4ALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672973-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-07-01 | — | — | EP | claimed |
| WO-2019037640-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-02-28 | — | — | WO | claimed |
| EP-3672973-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019037640-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-02-28 | — | — | WO | disclosed |