Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9275263 | 0.85 | CA12 (0.43) | ALDH1A1PTGS2CA2CA9CA12 | |
| SCHEMBL9373748 | 0.82 | DPP4 (0.36) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL7369396 | 0.73 | NPC1 (0.38) | ALDH1A1HSD17B10CA2CA9CA12 | |
| SCHEMBL17494172 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HSD17B10PTGS2PTPRCADORA2A | |
| SCHEMBL8029374 | 0.73 | CA12 (0.38) | HSD17B10PTGS2CA2CA9CA12 | |
| SCHEMBL31570105 | 0.72 | ALDH1A1 (0.56) | ALDH1A1HSD17B10GAA | |
| SCHEMBL20263706 | 0.72 | ALDH1A1 (0.56) | ALDH1A1HSD17B10GAA | |
| SCHEMBL29636396 | 0.71 | ALDH1A1 (0.46) | ALDH1A1HSD17B10PTGS2CA2CA9 | |
| SCHEMBL3789187 | 0.70 | ALDH1A1 (0.58) | ALDH1A1HSD17B10GAA | |
| SCHEMBL3780645 | 0.70 | ALDH1A1 (0.58) | ALDH1A1HSD17B10CYP2C9 |
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 |