Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | CYB5R3 | P00387 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23722589 | 0.75 | PARP1 (0.50) | PARP1CREBBPBRD4NOS2CYB5R3 | |
| SCHEMBL6097831 | 0.75 | PARP1 (0.50) | PARP1CREBBPBRD4NOS2CYB5R3 | |
| SCHEMBL5830221 | 0.75 | PARP1 (0.41) | PARP1CREBBPBRD4NOS2CYB5R3 | |
| SCHEMBL27659786 | 0.73 | PARP1 (0.45) | PARP1CREBBPBRD4CYB5R3MEN1 | |
| SCHEMBL1562544 | 0.72 | PARP1 (0.65) | PARP1CREBBPBRD4MEN1KMT2A | |
| SCHEMBL4800956 | 0.72 | PARP1 (0.65) | PARP1CREBBPBRD4MEN1KMT2A | |
| SCHEMBL8903161 | 0.72 | PARP1 (0.65) | PARP1CREBBPBRD4MEN1KMT2A | |
| SCHEMBL1562440 | 0.72 | PARP1 (0.65) | PARP1CREBBPBRD4MEN1KMT2A | |
| SCHEMBL8651078 | 0.70 | GAA (0.57) | PARP1CREBBPBRD4CYB5R3MEN1 | |
| SCHEMBL27339145 | 0.69 | PARP1 (0.44) | PARP1CREBBPBRD4NOS2CYB5R3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |