Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.52 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.52 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.52 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.52 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | TACR3 | P29371 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7365098 | 0.82 | F2 (0.61) | TP53HSD17B10GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7367339 | 0.81 | GRIN2B (0.53) | TP53HSD17B10GRIN1GRIN2BMGLL | |
| Hydrochloric Acid SCHEMBL7367291 | 0.80 | DRD2 (0.47) | DRD2DRD4DRD3 | |
| SCHEMBL6953902 | 0.78 | DRD2 (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7359608 | 0.75 | F2 (0.68) | HSD17B10MGLLMEN1KMT2AALDH1A1 | |
| SCHEMBL30301417 | 0.75 | SLC6A2 (0.68) | HSD17B10GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL27015691 | 0.75 | SLC6A2 (0.68) | HSD17B10GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL23682656 | 0.73 | TACR3 (0.83) | TP53HSD17B10MGLLMEN1KMT2A | |
| SCHEMBL7368341 | 0.73 | MGLL (0.55) | MGLLMEN1KMT2ACCR3 | |
| SCHEMBL7364712 | 0.72 | F2 (0.64) | TP53HSD17B10GRIN2DGRIN3BGRIN1 |
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 |