Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL22280550 | 0.82 | SMN1; SMN2 (0.47) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL22520374 | 0.82 | SMN1; SMN2 (0.47) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL20980205 | 0.82 | KDM4E (0.44) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL10857129 | 0.82 | — | — | |
| SCHEMBL18756405 | 0.81 | KDM4E (0.41) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL16015490 | 0.81 | ADRB2 (0.48) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL22545051 | 0.81 | ADRB1 (0.55) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL12228088 | 0.78 | ADRB2 (0.44) | ADRB1ADRB3ADRB2CYP3A4CYP2D6 | |
| SCHEMBL6644034 | 0.78 | KDM4E (0.75) | ADRB2KDM4EHTTSMN1; SMN2MEN1 | |
| SCHEMBL16822348 | 0.76 | KDM4E (0.79) | ADRB1ADRB2KDM4EHTTSMN1; SMN2 |
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-3381920-B1 | CDK INHIBITORS | G1 THERAPEUTICS INC (US) | 2019-03-27 | — | — | EP | disclosed |
| US-8829012-B2 | CDK inhibitors | G1 THERAPEUTICS, INC. (US) | 2014-09-09 | — | — | US | disclosed |