Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27419805 | 0.89 | BACE1 (0.50) | BACE1KEAP1PPARGMAPTITGB3 | |
| SCHEMBL21800978 | 0.81 | CYP2C19 (0.58) | BACE1KEAP1MAPTITGB3ITGB1 | |
| SCHEMBL13992226 | 0.81 | BACE1 (0.68) | BACE1PPARGMAPTMEN1KMT2A | |
| SCHEMBL4952951 | 0.79 | LMNA (0.63) | BACE1PPARGMAPTKDM4EALDH1A1 | |
| SCHEMBL233797 | 0.79 | KMT2A (0.57) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| Benzene SCHEMBL27690342 | 0.79 | KMT2A (0.57) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL31448014 | 0.78 | KEAP1 (0.62) | KEAP1MAPTKDM4EKMT2AHTT | |
| SCHEMBL9302237 | 0.78 | F10 (0.49) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8768375 | 0.78 | HPGD (0.51) | BACE1KEAP1PPARGMAPTITGB3 | |
| SCHEMBL17087190 | 0.78 | KEAP1 (0.51) | BACE1KEAP1PPARGMAPTITGB3 |
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-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |