Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637999 | 0.92 | IDH1 (0.46) | IDH1CYP19A1SMN1; SMN2CYP1A2CFTR | |
| SCHEMBL4637730 | 0.90 | MAPT (0.50) | IDH1CYP19A1SMN1; SMN2CYP1A2PTGER4 | |
| SCHEMBL4638551 | 0.87 | IDH1 (0.55) | IDH1CYP19A1HIF1AEPAS1PTGER4 | |
| SCHEMBL4638983 | 0.86 | IDH1 (0.49) | IDH1CYP19A1HIF1AEPAS1PTGER4 | |
| SCHEMBL4637961 | 0.85 | CFTR (0.46) | IDH1CYP19A1SMN1; SMN2CFTRDGAT2 | |
| SCHEMBL4637734 | 0.85 | CYP19A1 (0.46) | IDH1CYP19A1SMN1; SMN2CYP1A2PTGER4 | |
| SCHEMBL4637971 | 0.84 | CYP19A1 (0.50) | IDH1CYP19A1SMN1; SMN2CYP1A2 | |
| SCHEMBL4637833 | 0.82 | CYP19A1 (0.59) | IDH1CYP19A1SMN1; SMN2KDM4E | |
| SCHEMBL4637772 | 0.80 | IDH1 (0.51) | IDH1CYP19A1SMN1; SMN2CFTRKDM4E | |
| SCHEMBL4707976 | 0.80 | CYP19A1 (0.57) | CYP19A1SMN1; SMN2CYP1A2ADORA3KDM4E |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |