Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Phthalimide SCHEMBL30722317 | 0.83 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRGSK3BPOLBPARP1 | |
| Phthalimide SCHEMBL219747 | 0.83 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRGSK3BPOLBPARP1 | |
| SCHEMBL30606639 | 0.78 | PARP1 (0.50) | GSK3BPOLBPARP1MEN1KMT2A | |
| SCHEMBL29541 | 0.78 | PARP1 (0.50) | GSK3BPOLBPARP1MEN1KMT2A | |
| SCHEMBL7598089 | 0.78 | PARP1 (0.50) | GSK3BPOLBPARP1MEN1KMT2A | |
| SCHEMBL7601076 | 0.78 | PARP1 (0.50) | GSK3BPOLBPARP1MEN1KMT2A | |
| SCHEMBL5364036 | 0.78 | CDK5 (0.45) | TSHRPOLBPARP1MEN1KMT2A | |
| SCHEMBL218236 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHRGSK3BPOLBPARP1 | |
| SCHEMBL115116 | 0.72 | TSHR (0.48) | SMN1; SMN2TSHRGSK3BPOLBMEN1 | |
| SCHEMBL2509 | 0.72 | TSHR (1.00) | SMN1; SMN2TSHRPOLBTDP1ALDH1A1 |
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-2960205-A1 | Stable aqueous graphene suspension and its use in producing graphene polymer nanocomposites | Solvay SA (BE) | 2015-12-30 | — | — | EP | claimed |
| EP-2960205-A1 | Stable aqueous graphene suspension and its use in producing graphene polymer nanocomposites | Solvay SA (BE) | 2015-12-30 | — | — | EP | disclosed |