Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.41 |
| ▸ | ITGAV | P06756 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7401262 | 0.87 | ITGB3 (0.42) | ITGB3ITGAVJAK2GAAUSP2 | |
| SCHEMBL7917665 | 0.85 | ITGB3 (0.50) | ITGB3ITGAVMAPTTP53KDM4E | |
| SCHEMBL7917671 | 0.85 | ITGB3 (0.50) | ITGB3ITGAVMAPTTP53KDM4E | |
| SCHEMBL7078802 | 0.85 | ITGB3 (0.49) | ITGB3ITGAVJAK2MAPTKDM4E | |
| SCHEMBL8525635 | 0.83 | JAK2 (0.46) | ITGB3ITGAVJAK2GAAHTT | |
| SCHEMBL7399767 | 0.82 | ALDH1A1 (0.40) | ITGB3ITGAVGAALMNAMAPT | |
| SCHEMBL8525346 | 0.79 | ITGB3 (0.48) | ITGB3ITGAV | |
| SCHEMBL7919360 | 0.79 | ITGB3 (0.48) | ITGB3ITGAV | |
| SCHEMBL7917033 | 0.74 | PDE3B (0.33) | ITGB3ITGAVPDE3BPDE3A | |
| SCHEMBL9021160 | 0.73 | GAA (0.43) | ITGB3ITGAVGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6225465-B1 | REACTING BENZOAZEPINE OR BENZODIAZEPINE DERIVATIVE WITH PROTECTED AMINE IN PRESENCE OF PALLADIUM CATALYST IN PRESENCE OF CARBON MONOXIDE, REMOVING PROTECTING GROUPS | SMITHKLINE BEECHAM PLC (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-1019383-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 2000-07-19 | — | — | EP | disclosed |
| EP-0964928-A1 | ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE | SMITHKLINE BEECHAM PLC (GB) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998029561-A1 | ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE | SMITHKLINE BEECHAM PLC (GB) | 1998-07-09 | — | — | WO | disclosed |
| WO-1997024336-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 1997-07-10 | — | — | WO | disclosed |