Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | CDK4 | P11802 | 6/20 | 0.40 |
| ▸ | CCND1 | P24385 | 6/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.40 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HEXA | P06865 | 1/20 | 0.36 |
| ▸ | HEXB | P07686 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | PRKACG | P22612 | 2/20 | 0.35 |
| ▸ | PRKACB | P22694 | 2/20 | 0.35 |
| ▸ | CAMK2B | Q13554 | 2/20 | 0.35 |
| ▸ | CAMK2G | Q13555 | 2/20 | 0.35 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11204216 | 0.93 | PARP1 (0.58) | PARP1CDK4CCND1CCNE2CCNE1 | |
| SCHEMBL11210705 | 0.92 | PARP1 (0.56) | PARP1CDK4CCND1CCNE2CCNE1 | |
| SCHEMBL8205632 | 0.90 | PARP1 (0.54) | PARP1CDK4CCND1CCNE2CCNE1 | |
| SCHEMBL15557200 | 0.88 | PARP1 (0.51) | PARP1CDK4CCND1CCNE2CCNE1 | |
| SCHEMBL19436979 | 0.86 | PARP1 (0.50) | PARP1NPSR1MEN1KMT2AATG4B | |
| SCHEMBL28286146 | 0.86 | PARP1 (0.50) | PARP1CDK2NPSR1MEN1KMT2A | |
| SCHEMBL21616783 | 0.86 | PARP1 (0.50) | PARP1CDK4CCND1CCNE2CCNE1 | |
| SCHEMBL29030849 | 0.85 | PARP1 (0.49) | PARP1NPSR1ATG4BTDP1 | |
| SCHEMBL9556433 | 0.85 | PARP1 (0.51) | PARP1CDK4CCND1CCNE2CCNE1 | |
| SCHEMBL28287598 | 0.85 | PARP1 (0.51) | PARP1CDK2NPSR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997046525-A1 | 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1997-12-11 | — | — | WO | disclosed |
| US-5654431-A | EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1997-08-05 | — | — | US | disclosed |