Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.50 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.50 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15679137 | 0.83 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL3075925 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL29796062 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL10175659 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL14768876 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL7658698 | 0.80 | CYP1A2 (0.55) | ALDH1A1TSHRTDP1CYP3A4HSD17B10 | |
| SCHEMBL31692133 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TDP1CYP3A4L3MBTL1HSD17B10 | |
| SCHEMBL3256690 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TDP1CYP3A4L3MBTL1HSD17B10 | |
| SCHEMBL27327604 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL6206215 | 0.77 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A |
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 3 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 |
| CN-1272107-A | Benzamidine derivatives as factor Xa inhibitors | MERCK PATENT GMBH (DE) | 2000-11-01 | — | — | CN | disclosed |