Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8073643 | 0.96 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7074222 | 0.89 | LMNA (0.62) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 | |
| SCHEMBL7071582 | 0.87 | LMNA (0.60) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 | |
| SCHEMBL7071746 | 0.87 | MEN1 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7069936 | 0.87 | SMN1; SMN2 (0.60) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7075122 | 0.87 | LMNA (0.65) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 | |
| SCHEMBL7069907 | 0.86 | VCAM1 (0.52) | LMNASMN1; SMN2KMT2AMGLLMEN1 | |
| SCHEMBL7071901 | 0.85 | LMNA (0.50) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 | |
| SCHEMBL7069983 | 0.85 | LMNA (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7132172 | 0.85 | ALDH1A1 (0.54) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 |
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 |