Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPC4 | Q9UBN4 | 2/20 | 0.38 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707771 | 0.93 | ALDH1A1 (0.45) | ALDH1A1KDM4EAGTR1AGTR2MEN1 | |
| SCHEMBL9707921 | 0.89 | TRPC5 (0.46) | ALDH1A1KDM4EKMT2ATRPC4TRPC5 | |
| SCHEMBL9708634 | 0.87 | KDM4E (0.46) | ALDH1A1KDM4EAGTR1AGTR2PPARG | |
| SCHEMBL9708041 | 0.85 | AGTR1 (0.51) | ALDH1A1KDM4EAGTR1AGTR2PPARG | |
| SCHEMBL9708723 | 0.85 | AGTR1 (0.48) | ALDH1A1KDM4EAGTR1AGTR2PPARG | |
| SCHEMBL9707666 | 0.84 | ADORA3 (0.42) | — | |
| SCHEMBL9708098 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EAGTR1AGTR2MEN1 | |
| SCHEMBL9708027 | 0.82 | MAPT (0.42) | ALDH1A1CYP2C9CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL9707689 | 0.81 | TRPC5 (0.45) | ALDH1A1KDM4ETRPC4TRPC5KCNH2 | |
| SCHEMBL9708704 | 0.81 | KMT2A (0.47) | ALDH1A1AGTR1AGTR2MEN1CYP2C9 |
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 1 patent. 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 | disclosed |