Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 2/20 | 0.39 |
| ▸ | PARN | O95453 | 1/20 | 0.39 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27686786 | 0.67 | CYP11B2 (0.43) | TSHRALDH1A1CYP11B2ADORA2BSMN1; SMN2 | |
| SCHEMBL21499645 | 0.67 | GDA (0.46) | TSHRALDH1A1CYP11B2SMN1; SMN2TNF | |
| SCHEMBL15624418 | 0.65 | CYP11B2 (0.49) | TSHRALDH1A1CYP11B2ADORA2BSMN1; SMN2 | |
| SCHEMBL22751731 | 0.64 | CYP11B2 (1.00) | CYP11B2CYP11B1 | |
| SCHEMBL16068380 | 0.64 | CYP11B2 (0.54) | TSHRALDH1A1CYP11B2ADORA2BSMN1; SMN2 | |
| SCHEMBL30595217 | 0.63 | PARN (0.54) | TSHRCYP11B2ADORA2BSMN1; SMN2RXFP1 | |
| SCHEMBL23974592 | 0.63 | TSHR (0.57) | TSHRALDH1A1CYP11B2ADORA2BSMN1; SMN2 | |
| SCHEMBL17456294 | 0.63 | CYP11B2 (0.67) | TSHRALDH1A1CYP11B2ADORA2BSMN1; SMN2 | |
| SCHEMBL3525336 | 0.62 | ADORA2A (0.51) | TSHRCYP11B2ADORA2BSMN1; SMN2RXFP1 | |
| SCHEMBL16210930 | 0.62 | SMN1; SMN2 (0.64) | CYP11B2SMN1; SMN2TNFCYP11B1POLB |
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-2007017262-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |
| WO-2007017261-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |