Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | NAALAD2 | Q9Y3Q0 | 3/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9985442 | 0.85 | CYP1A2 (0.47) | CYP1A2NAALAD2DDAH1GRM1KDM6B | |
| SCHEMBL12799249 | 0.79 | NAALAD2 (0.49) | CYP1A2NAALAD2APEX1KDM6BKDM4A | |
| SCHEMBL12799252 | 0.78 | NAALAD2 (0.47) | CYP1A2NAALAD2APEX1GRM1L3MBTL1 | |
| SCHEMBL19996040 | 0.75 | NAALAD2 (0.45) | CYP1A2NAALAD2APEX1L3MBTL1MMEL1 | |
| SCHEMBL13319916 | 0.75 | NAALAD2 (0.44) | CYP1A2NAALAD2GRM1KDM6BKDM4A | |
| Trifluoroacetic Acid SCHEMBL18762550 | 0.72 | CYP1A2 (0.46) | CYP1A2NAALAD2DDAH1GRM1KDM6B | |
| Trifluoroacetic Acid SCHEMBL18762578 | 0.70 | CYP1A2 (0.43) | CYP1A2NAALAD2DDAH1GRM1KDM6B | |
| SCHEMBL18774997 | 0.69 | CYP1A2 (0.50) | CYP1A2NAALAD2DDAH1L3MBTL1ALDH1A1 | |
| SCHEMBL23646039 | 0.69 | NAALAD2 (0.40) | CYP1A2NAALAD2DDAH1GRM1KDM6B | |
| SCHEMBL8893948 | 0.68 | KDM4E (0.32) | ALDH1A1 |
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-0761668-B1 | Non-classical antifolates | UNIV PRINCETON (US) | 2002-01-30 | — | — | EP | disclosed |
| US-5786358-A | INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1998-07-28 | — | — | US | disclosed |
| EP-0761668-A2 | Non-classical antifolates | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1997-03-12 | — | — | EP | disclosed |