Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | ITGB2 | P05107 | 6/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 6/20 | 0.43 |
| ▸ | ITGAL | P20701 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ECE1 | P42892 | 3/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944251 | 0.97 | CTSL (0.45) | CTSLITGB2ICAM1ITGALMEN1 | |
| SCHEMBL4169038 | 0.90 | ITGB2 (0.45) | ITGB2ICAM1ITGALMEN1KMT2A | |
| SCHEMBL3939262 | 0.86 | MEN1 (0.46) | ITGB2ICAM1ITGALMEN1KMT2A | |
| SCHEMBL3937917 | 0.86 | ITGB2 (0.46) | CTSLITGB2ICAM1ITGALMEN1 | |
| SCHEMBL4041042 | 0.84 | CTSL (0.42) | CTSLITGB2ICAM1ITGALCTSS | |
| SCHEMBL13905416 | 0.84 | KMT2A (0.52) | CTSLITGB2ICAM1ITGALMEN1 | |
| SCHEMBL3941203 | 0.83 | ITGB2 (0.48) | CTSLITGB2ICAM1ITGALMEN1 | |
| SCHEMBL13914323 | 0.82 | CTSL (0.46) | CTSLMEN1KMT2ACTSSCTSK | |
| SCHEMBL13914332 | 0.82 | HPGDS (0.47) | CTSLITGB2ICAM1ITGALMEN1 | |
| SCHEMBL4041218 | 0.81 | CTSL (0.44) | CTSLMEN1KMT2ACTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009016253-A2 | CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-05 | — | — | WO | disclosed |