Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17261960 | 0.75 | — | — | |
| SCHEMBL19103338 | 0.74 | EGFR (0.39) | CNR1ALDH1A1CNR2PDE4BPDE4D | |
| SCHEMBL15648351 | 0.68 | CDK2 (0.55) | RPS6KA5MEN1KMT2A | |
| SCHEMBL24710243 | 0.68 | CCND1 (0.51) | DYRK1ARPS6KA5 | |
| SCHEMBL16152907 | 0.66 | HPGD (0.31) | LMNAMEN1KMT2A | |
| SCHEMBL25598658 | 0.65 | CCNT1 (0.60) | RPS6KA5MEN1KMT2A | |
| SCHEMBL25497122 | 0.65 | CDK5 (0.49) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL17373097 | 0.65 | DYRK1A (0.47) | KCNH2NPSR1CYP3A4DYRK1ASMN1; SMN2 | |
| SCHEMBL17261870 | 0.65 | HTR2A (0.46) | — | |
| SCHEMBL19103250 | 0.64 | EGFR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3143015-B1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | ARIAD PHARMA INC (US) | 2019-02-20 | — | — | EP | disclosed |