Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7073993 | 0.83 | ALDH1A1 (0.60) | ALDH1A1MGLLCA12CA1CA2 | |
| SCHEMBL7069936 | 0.80 | SMN1; SMN2 (0.60) | THRBALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL8073643 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MGLLCA12CA1CA2 | |
| SCHEMBL7074644 | 0.80 | RXFP1 (0.59) | ALDH1A1MGLLCA12CA1CA2 | |
| SCHEMBL7073717 | 0.79 | TSHR (0.57) | ALDH1A1MGLLLMNATSHRSMN1; SMN2 | |
| SCHEMBL7074664 | 0.76 | THRB (0.53) | THRBALDH1A1MGLLLMNAMAPT | |
| SCHEMBL7077520 | 0.76 | LMNA (0.54) | THRBALDH1A1MGLLLMNATSHR | |
| SCHEMBL7075196 | 0.76 | MGLL (0.54) | THRBALDH1A1MGLLCA12CA1 | |
| SCHEMBL7069907 | 0.76 | VCAM1 (0.52) | MGLLLMNAMAPTSMN1; SMN2MEN1 | |
| SCHEMBL7654301 | 0.75 | MAPT (0.56) | ALDH1A1MGLLLMNAMAPTTP53 |
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 |