Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | HEXA | P06865 | 1/20 | 0.39 |
| ▸ | HEXB | P07686 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8880740 | 0.90 | PARP1 (0.50) | PARP1NPSR1CDK2CCNE2CDK4 | |
| SCHEMBL11204216 | 0.88 | PARP1 (0.58) | PARP1NPSR1CDK2CCNE2CDK4 | |
| SCHEMBL11210705 | 0.87 | PARP1 (0.56) | PARP1NPSR1CDK2CCNE2CDK4 | |
| SCHEMBL19895278 | 0.85 | PARP1 (0.54) | PARP1NPSR1GAAMEN1KMT2A | |
| SCHEMBL28257840 | 0.85 | PARP1 (0.54) | PARP1NPSR1CDK2HEXAHEXB | |
| Hydrochloric Acid SCHEMBL28259370 | 0.84 | PARP1 (0.53) | PARP1NPSR1CDK2HEXAHEXB | |
| SCHEMBL16116423 | 0.83 | PARP1 (0.59) | PARP1NPSR1CDK4CCND1GAA | |
| SCHEMBL28174605 | 0.83 | PARP1 (0.51) | PARP1NPSR1MEN1KMT2ARGS12 | |
| SCHEMBL9556433 | 0.83 | PARP1 (0.51) | PARP1NPSR1CDK2CCNE2CDK4 | |
| SCHEMBL28287598 | 0.83 | PARP1 (0.51) | PARP1NPSR1CDK2HEXAHEXB |
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-6096758-A | 3-METHYLIMIDAZOPYRIDINES USED FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-08-01 | — | — | US | disclosed |
| EP-0359431-A2 | Halomethyl-1,3,5-triazines containing a sensitizer moiety | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |