Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | STAT3 | P40763 | 9/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7076687 | 0.90 | TSHR (0.59) | NPC1TSHRMEN1KMT2AHPGD | |
| SCHEMBL7070548 | 0.89 | MGLL (0.56) | STAT3CYP2C9CYP2C19TSHRMEN1 | |
| SCHEMBL7074835 | 0.86 | KMT2A (0.58) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7999739 | 0.86 | NPC1 (0.47) | NPC1STAT3TSHRHPGDMGLL | |
| SCHEMBL7996195 | 0.80 | NPC1 (0.42) | NPC1TSHRMEN1KMT2AHPGD | |
| SCHEMBL7074071 | 0.79 | KDM4E (0.56) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7389702 | 0.79 | MGLL (0.47) | NPC1TSHRHPGDALDH1A1MAPT | |
| SCHEMBL7074772 | 0.78 | MGLL (0.66) | TSHRMEN1KMT2AHPGDALDH1A1 | |
| SCHEMBL7075993 | 0.77 | ATM (0.66) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7999722 | 0.77 | ALDH1A1 (0.45) | TSHRKMT2AALDH1A1MAPTLMNA |
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 |