Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 2/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.40 |
| ▸ | ITGAL | P20701 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | CCKBR | P32239 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14557691 | 0.94 | HTR2A (0.40) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL14557754 | 0.94 | MPO (0.39) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL4602963 | 0.94 | PTPN11 (0.43) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL4601908 | 0.92 | ITGB2 (0.49) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL14557733 | 0.92 | HTR1A (0.38) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL14557732 | 0.90 | ICMT (0.39) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL14557731 | 0.90 | NR3C1 (0.40) | ITGB2ICAM1ITGALCCKBRHTR2A | |
| SCHEMBL14557960 | 0.89 | PPARG (0.42) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL14557719 | 0.89 | ITGB2 (0.39) | ITGB2ICAM1ITGALPPARGCCKBR | |
| SCHEMBL14557962 | 0.89 | ITGB2 (0.45) | ITGB2ICAM1ITGALPPARGCCKBR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912970-A2 | ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007017289-A2 | ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-02-15 | — | — | WO | disclosed |