Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PDE8B | O95263 | 1/20 | 0.32 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL4637728 | 0.96 | IDH1 (0.37) | IDH1TEAD1CRHR1TRPV1ALDH1A1 | |
| SCHEMBL4638099 | 0.95 | IDH1 (0.36) | IDH1CRHR1ALDH1A1TSHRS1PR1 | |
| SCHEMBL4638502 | 0.92 | CDK9 (0.34) | IDH1ALDH1A1TSHRPDE8BMET | |
| SCHEMBL4637757 | 0.92 | ALDH1A1 (0.33) | IDH1ALDH1A1TSHRPDE8BMET | |
| SCHEMBL4638945 | 0.92 | IDH1 (0.35) | IDH1CRHR1PDE8BCFTRRORC | |
| SCHEMBL4637784 | 0.90 | IDH1 (0.37) | IDH1CRHR1ALDH1A1TSHRPDE8B | |
| SCHEMBL4638821 | 0.90 | TACR1 (0.32) | IDH1TRPV1ALDH1A1TSHRCFTR | |
| SCHEMBL4639054 | 0.89 | ALDH1A1 (0.36) | TRPV1ALDH1A1TSHRS1PR1S1PR3 | |
| SCHEMBL4639496 | 0.87 | CFTR (0.32) | ALDH1A1TSHRCFTRCYP3A4 | |
| SCHEMBL4638590 | 0.86 | ALDH1A1 (0.34) | ALDH1A1TSHRMET |
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 |