Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.51 |
| ▸ | CPT1A | P50416 | 3/20 | 0.49 |
| ▸ | CPT2 | P23786 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.48 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.48 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.48 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7074772 | 0.84 | MGLL (0.66) | ALDH1A1MGLLMEN1KMT2APOLB | |
| SCHEMBL7076687 | 0.80 | TSHR (0.59) | ALDH1A1NPC1RAB9AMGLLMEN1 | |
| SCHEMBL7070548 | 0.78 | MGLL (0.56) | ALDH1A1MGLLMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7649408 | 0.78 | DGAT1 (0.58) | ALDH1A1MGLLPOLBDGAT1KDM4E | |
| SCHEMBL7075122 | 0.77 | LMNA (0.65) | ALDH1A1MGLLHTTSMN1; SMN2 | |
| SCHEMBL7073717 | 0.76 | TSHR (0.57) | ALDH1A1RAB9AMGLLKMT2ASMN1; SMN2 | |
| SCHEMBL7074046 | 0.76 | HDAC4 (0.57) | RAB9AMGLL | |
| SCHEMBL7074241 | 0.76 | HDAC4 (0.53) | NPC1RAB9AMGLLHTTPOLB | |
| SCHEMBL7076841 | 0.76 | MGLL (0.54) | ALDH1A1NPC1RAB9AMGLLHTT | |
| SCHEMBL7071696 | 0.75 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AMGLLMEN1 |
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 |