Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 3/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637865 | 0.88 | ALDH1A1 (0.33) | IDH1MAPTP2RX7HTTSMN1; SMN2 | |
| SCHEMBL4637794 | 0.86 | ALDH1A1 (0.36) | EPAS1MAPTP2RX7HTTSMN1; SMN2 | |
| SCHEMBL4639390 | 0.85 | GLS (0.35) | IDH1RORCMAPTGPBAR1ALDH1A1 | |
| SCHEMBL4637834 | 0.85 | ABL1 (0.33) | CFTRMAPTSMN1; SMN2LMNANPSR1 | |
| SCHEMBL4638945 | 0.84 | IDH1 (0.35) | IDH1CFTRRORCCRHR1PDE8B | |
| SCHEMBL4638641 | 0.81 | IDH1 (0.41) | IDH1CFTRRORCCRHR1P2RX7 | |
| SCHEMBL4638099 | 0.81 | IDH1 (0.36) | IDH1CFTRRORCCRHR1MAPT | |
| SCHEMBL4637728 | 0.81 | IDH1 (0.37) | IDH1CFTRRORCCRHR1P2RX7 | |
| SCHEMBL4638502 | 0.80 | CDK9 (0.34) | IDH1P2RX7TP53S1PR3ALDH1A1 | |
| SCHEMBL4637784 | 0.78 | IDH1 (0.37) | IDH1CFTRRORCCRHR1GPBAR1 |
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 |