Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CBX7 | O95931 | 2/20 | 0.37 |
| ▸ | CDYL | Q9Y232 | 2/20 | 0.37 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.37 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16377143 | 0.73 | IDO1 (0.62) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL2485622 | 0.72 | IDO1 (0.41) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL2482415 | 0.72 | PGR (0.41) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL2485480 | 0.70 | MDM2 (0.38) | IDO1MDM2TP53AKR1B1 | |
| SCHEMBL11959125 | 0.69 | IDO1 (0.41) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL2485481 | 0.68 | IDO1 (0.48) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL12205319 | 0.66 | PGR (0.43) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL12205346 | 0.65 | IDO1 (0.43) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL9542686 | 0.61 | ADAM17 (0.48) | BCHEAKR1B1 | |
| SCHEMBL1722012 | 0.59 | PGR (0.69) | IDO1MEN1KMT2AAKR1B1 |
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-1891075-B1 | TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS | MERCK SERONO SA (CH) | 2011-10-19 | — | — | EP | disclosed |