Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | TPH1 | P17752 | 3/20 | 0.41 |
| ▸ | TPH2 | Q8IWU9 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708284 | 0.94 | KMT2A (0.54) | KMT2AMEN1ALDH1A1KDM4EHTT | |
| SCHEMBL9708443 | 0.92 | KMT2A (0.55) | KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9707780 | 0.92 | KMT2A (0.53) | KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9708565 | 0.91 | KMT2A (0.55) | KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9707885 | 0.90 | KMT2A (0.52) | KMT2AMEN1ALDH1A1KDM4EHTT | |
| SCHEMBL9708799 | 0.90 | KMT2A (0.51) | KMT2AADORA3MEN1ALDH1A1KDM4E | |
| SCHEMBL9707438 | 0.89 | ADORA3 (0.49) | KMT2AADORA3AGTR1AGTR2ADORA2A | |
| SCHEMBL9708792 | 0.88 | KMT2A (0.50) | KMT2AMEN1ALDH1A1KDM4EHTT | |
| SCHEMBL9708269 | 0.88 | ADORA2A (0.46) | KMT2AADORA3POLBAGTR1AGTR2 | |
| SCHEMBL9708761 | 0.88 | ADORA3 (0.43) | KMT2AADORA3AGTR1AGTR2ADORA2A |
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 |