Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7074230 | 0.81 | HPGD (0.53) | ALDH1A1HPGDTSHRMGLLLMNA | |
| SCHEMBL7076687 | 0.81 | TSHR (0.59) | ALDH1A1HSD17B10HPGDKMT2ATSHR | |
| SCHEMBL7388176 | 0.81 | SIGMAR1 (0.51) | ALDH1A1HSD17B10KMT2ATSHRGFER | |
| SCHEMBL7074772 | 0.81 | MGLL (0.66) | ALDH1A1HPGDKMT2ATSHRPOLB | |
| SCHEMBL108225 | 0.80 | ALDH1A1 (0.90) | ALDH1A1HSD17B10HPGDCYP1A2CYP3A4 | |
| SCHEMBL7075196 | 0.78 | MGLL (0.54) | ALDH1A1KMT2ATSHRMEN1MGLL | |
| SCHEMBL7074644 | 0.76 | RXFP1 (0.59) | ALDH1A1KMT2APOLBMGLLLMNA | |
| SCHEMBL7071414 | 0.76 | FASN (0.60) | HPGDKMT2ATSHRMEN1MGLL | |
| SCHEMBL7653912 | 0.76 | HDAC4 (0.74) | KMT2AMEN1MGLL | |
| SCHEMBL7074159 | 0.76 | MGLL (0.55) | KMT2APOLBMEN1MGLL |
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 |