Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6684454 | 0.82 | MAPK1 (0.41) | SMN1; SMN2MAPK1L3MBTL1GAAALDH1A1 | |
| SCHEMBL1153651 | 0.78 | CYP2C19 (0.37) | ALDH1A1THRB | |
| SCHEMBL5607045 | 0.73 | CYP2C9 (0.33) | THRB | |
| SCHEMBL2362357 | 0.73 | CES2 (0.44) | MAPK1L3MBTL1ALDH1A1THRBLMNA | |
| SCHEMBL588390 | 0.70 | SMN1; SMN2 (0.46) | SMN1; SMN2MAPK1GAAALDH1A1THRB | |
| SCHEMBL28901571 | 0.69 | L3MBTL1 (0.41) | SMN1; SMN2MAPK1L3MBTL1GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL28538972 | 0.69 | SMN1; SMN2 (0.44) | SMN1; SMN2MAPK1GAAALDH1A1THRB | |
| SCHEMBL11665265 | 0.69 | TSHR (0.45) | SMN1; SMN2ALDH1A1LMNATSHR | |
| SCHEMBL8029377 | 0.68 | L3MBTL1 (0.37) | SMN1; SMN2MAPK1L3MBTL1GAAALDH1A1 | |
| SCHEMBL5607873 | 0.68 | — | — |
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-0960102-A1 | AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN | Du Pont Pharmaceuticals Company (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998001428-A1 | AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-01-15 | — | — | WO | disclosed |