Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 2/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7069980 | 0.89 | TSHR (0.54) | LSSCA12CA1CA2CA9 | |
| SCHEMBL7070226 | 0.88 | THRB (0.54) | CA12CA1CA2CA9ADORA2B | |
| SCHEMBL7075159 | 0.87 | LSS (0.51) | LSSCA12CA1CA2CA9 | |
| SCHEMBL7074079 | 0.87 | ALDH1A1 (0.63) | ADORA2BTDP1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL7070564 | 0.85 | LMNA (0.49) | SMN1; SMN2ALDH1A1LMNAMAPK1MAPT | |
| SCHEMBL7071584 | 0.84 | GAA (0.52) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL7074071 | 0.84 | KDM4E (0.56) | SMN1; SMN2ALDH1A1LMNATSHRMAPT | |
| SCHEMBL8075470 | 0.84 | LMNA (0.46) | SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL7076926 | 0.83 | LSS (0.52) | LSSTDP1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL7392302 | 0.82 | LMNA (0.44) | S1PR4S1PR1S1PR3S1PR5CA12 |
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-1025086-B1 | BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-6492368-B1 | Benzamidine derivatives as factor XA inhibitors | MERCK PATENT GMBH (DE) | 2002-12-10 | — | — | US | disclosed |