Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE1A | P54750 | 2/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7417865 | 0.74 | YTHDC1 (0.44) | ALDH1A1KDM4EPNP | |
| SCHEMBL9235491 | 0.73 | PNP (0.70) | USP2ADORA2AADORA1PNP | |
| SCHEMBL7416426 | 0.71 | HPGD (0.49) | KMT2AALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL7423402 | 0.69 | KMT2A (0.46) | KMT2AALDH1A1KDM4EMEN1USP2 | |
| SCHEMBL7604062 | 0.69 | PNP (0.53) | KMT2AKDM4EMEN1PDE4APNP | |
| SCHEMBL22800974 | 0.66 | PNP (0.47) | KMT2AALDH1A1MEN1PNPLMNA | |
| SCHEMBL7510873 | 0.65 | PDE4A (0.50) | ALDH1A1ADORA2AADORA1PKMPKLR | |
| SCHEMBL27088312 | 0.65 | HSD17B13 (0.54) | KMT2AALDH1A1MAPTPKMPKLR | |
| SCHEMBL1938289 | 0.65 | PNP (0.73) | PNP | |
| SCHEMBL7421519 | 0.65 | PNP (0.49) | KMT2AMEN1PDE4APNP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | claimed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | claimed |