Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707710 | 0.92 | MAPT (0.39) | MAPTSMN1; SMN2POLBADORA2BHPGD | |
| SCHEMBL9708593 | 0.86 | AGTR2 (0.43) | MAPTPOLB | |
| SCHEMBL9707666 | 0.85 | ADORA3 (0.42) | ADORA2BADORA3 | |
| SCHEMBL9707921 | 0.85 | TRPC5 (0.46) | MAPTALDH1A1LMNAADORA3TSHR | |
| SCHEMBL9707348 | 0.85 | AGTR1 (0.47) | — | |
| SCHEMBL9708061 | 0.84 | AGTR1 (0.45) | — | |
| SCHEMBL9707971 | 0.83 | HPGD (0.38) | SMN1; SMN2HPGDLMNAADORA3 | |
| SCHEMBL9708551 | 0.83 | KMT2A (0.43) | MAPTSMN1; SMN2POLBADORA2BHPGD | |
| SCHEMBL9708321 | 0.82 | ALDH1A1 (0.44) | MAPTSMN1; SMN2POLBALDH1A1LMNA | |
| SCHEMBL9707876 | 0.81 | GPR18 (0.38) | HPGD |
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-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | claimed |
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |