Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL554230 | 0.78 | KCNN4 (0.37) | KCNN4KCNE1KCNQ1NFE2L2 | |
| SCHEMBL113852 | 0.76 | IDO1 (0.59) | IDO1AGXTHTR2AHTR2CKDM4E | |
| SCHEMBL26625794 | 0.76 | IDO1 (0.59) | IDO1AGXTHTR2AHTR2CKDM4E | |
| Trifluoroacetic Acid SCHEMBL4243585 | 0.69 | IDO1 (0.44) | IDO1AGXTKCNN4HTR2AHTR2C | |
| SCHEMBL8356956 | 0.67 | IDO1 (0.42) | IDO1AGXTKDM4EMPOSMN1; SMN2 | |
| SCHEMBL4458984 | 0.66 | IDO1 (0.48) | IDO1AGXTHTR2AHTR2CMAPK14 | |
| SCHEMBL109671 | 0.66 | IDO1 (0.65) | IDO1AGXTMPO | |
| SCHEMBL888536 | 0.64 | KCNN4 (0.33) | KCNN4KCNE1KCNQ1 | |
| SCHEMBL18783726 | 0.64 | MAPK14 (0.56) | IDO1AGXTMAPK14KDM4E | |
| SCHEMBL11623483 | 0.64 | IDO1 (0.41) | IDO1KCNN4MPOTAAR1 |
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-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |