Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9654854 | 0.83 | CA2 (0.34) | CA1CA2CA9LOXL2 | |
| SCHEMBL8029374 | 0.82 | CA12 (0.38) | RAB9ACYP3A4TDP1DPP4CA1 | |
| SCHEMBL23057561 | 0.81 | DPP4 (0.41) | NPC1ALDH1A1RAB9ASMN1; SMN2PTGDR2 | |
| SCHEMBL27656432 | 0.81 | PTGDR2 (0.45) | NPC1ALDH1A1RAB9ASMN1; SMN2PTGDR2 | |
| SCHEMBL7343883 | 0.75 | CA2 (0.41) | TP53MEN1LMNAPOLBKMT2A | |
| SCHEMBL7366245 | 0.73 | ALDH1A1 (0.42) | ALDH1A1PTPRCNSD2CA1CA2 | |
| SCHEMBL3781497 | 0.72 | DPP4 (0.61) | NPC1ALDH1A1RAB9ASMN1; SMN2PTGDR2 | |
| SCHEMBL3790106 | 0.72 | PTGDR2 (0.46) | NPC1ALDH1A1RAB9ASMN1; SMN2PTGDR2 | |
| SCHEMBL7342267 | 0.71 | CA1 (0.35) | ALDH1A1TSHRPPARGDPP4CA1 | |
| SCHEMBL29795424 | 0.71 | DPP4 (0.41) | NPC1ALDH1A1RAB9ASMN1; SMN2PTGDR2 |
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 |