Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL7296240 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL27558112 | 0.83 | CHRNB2 (0.56) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL23601799 | 0.82 | HCAR2 (0.48) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL30013373 | 0.82 | HCAR2 (0.48) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL13915755 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL29793626 | 0.80 | MAOB (0.55) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL2615683 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL9837062 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDCHRNB2CHRNB4 | |
| SCHEMBL27951862 | 0.77 | ALDH1A1 (0.51) | ALDH1A1MAPTMAPK1KMT2ASIGMAR1 | |
| SCHEMBL7347726 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDMAPK1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |