Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21704888 | 0.95 | SMN1; SMN2 (0.40) | SMN1; SMN2KDM4ELMNAMAPTALDH1A1 | |
| SCHEMBL22328885 | 0.84 | AHR (0.36) | SMN1; SMN2KDM4ES1PR1MAPTALDH1A1 | |
| SCHEMBL21699099 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL21704889 | 0.82 | MCL1 (0.30) | MCL1 | |
| SCHEMBL21704881 | 0.81 | GPR84 (0.37) | SMN1; SMN2KDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL21704887 | 0.79 | CYP1A2 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL21705051 | 0.77 | GPR84 (0.35) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21705050 | 0.77 | ADORA2A (0.32) | KDM4ECYP1A2HPGD | |
| SCHEMBL21704892 | 0.77 | CYP1A2 (0.33) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21705052 | 0.76 | ESR1 (0.32) | — |
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-3608303-A1 | ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT | CANON KABUSHIKI KAISHA (JP) | 2020-02-12 | — | — | EP | disclosed |