Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL14069746 | 0.96 | ITGB2 (0.40) | ITGB2ICAM1ITGALHTR2AHTR2C | |
| SCHEMBL4633716 | 0.96 | ITGB2 (0.40) | ITGB2ICAM1ITGALHTR2AHTR2C | |
| SCHEMBL4633689 | 0.96 | HDAC3 (0.36) | ITGB2ICAM1ITGALHDAC3HDAC1 | |
| SCHEMBL4633691 | 0.96 | HDAC3 (0.36) | ITGB2ICAM1ITGALHDAC3HDAC1 | |
| SCHEMBL14069911 | 0.92 | ITGB2 (0.40) | ITGB2ICAM1ITGALHDAC3HDAC1 | |
| SCHEMBL4734663 | 0.92 | ITGB2 (0.40) | ITGB2ICAM1ITGALHDAC3HDAC1 | |
| SCHEMBL4634786 | 0.89 | ITGB2 (0.45) | ITGB2ICAM1ITGALHDAC3HDAC1 | |
| SCHEMBL4633692 | 0.89 | ITGB2 (0.43) | ITGB2ICAM1ITGALHTR2AHTR2C | |
| SCHEMBL4632690 | 0.89 | HDAC3 (0.44) | ITGB2ICAM1ITGALHDAC3HDAC1 | |
| SCHEMBL4633717 | 0.89 | HDAC3 (0.44) | ITGB2ICAM1ITGALHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008071453-A1 | 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-19 | — | — | WO | claimed |
| WO-2008071453-A1 | 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-19 | — | — | WO | disclosed |