Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | USP1 | O94782 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708440 | 0.98 | AGTR1 (0.38) | KMT2AALDH1A1AGTR1AGTR2PPARG | |
| SCHEMBL9708112 | 0.95 | KMT2A (0.42) | KMT2AAGTR1AGTR2PPARGMEN1 | |
| SCHEMBL9707802 | 0.93 | KMT2A (0.42) | KMT2AAGTR1AGTR2PPARGMEN1 | |
| SCHEMBL9708371 | 0.93 | KMT2A (0.44) | KMT2AAGTR1AGTR2PPARGMEN1 | |
| SCHEMBL9707871 | 0.93 | ADORA3 (0.42) | KMT2AALDH1A1MEN1USP1ADORA3 | |
| SCHEMBL9708471 | 0.92 | KMT2A (0.43) | KMT2AALDH1A1AGTR1AGTR2PPARG | |
| SCHEMBL9708309 | 0.92 | KMT2A (0.40) | KMT2AAGTR1AGTR2PPARGMEN1 | |
| SCHEMBL9707459 | 0.92 | KMT2A (0.46) | KMT2AALDH1A1AGTR1AGTR2PPARG | |
| SCHEMBL9707887 | 0.91 | PPARG (0.41) | KMT2AAGTR1AGTR2PPARGADORA3 | |
| SCHEMBL9708179 | 0.91 | KMT2A (0.42) | KMT2AAGTR1AGTR2PPARGADORA3 |
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 |