Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8394013 | 0.84 | NLRP3 (0.46) | ALDH1A1EPHX2ADORA2BCNR2POLB | |
| SCHEMBL3983281 | 0.79 | NLRP3 (0.46) | ALDH1A1GAAKDM4EEPHX2SMN1; SMN2 | |
| SCHEMBL4406872 | 0.79 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4ESMN1; SMN2HPGD | |
| SCHEMBL3447830 | 0.74 | MAPT (0.42) | ALDH1A1GAAKDM4ESMN1; SMN2ADORA2B | |
| SCHEMBL3979338 | 0.72 | PCK1 (0.47) | GAAKDM4EKMT2AMAPTPOLB | |
| SCHEMBL13541545 | 0.67 | HPGD (0.70) | ALDH1A1GAAEPHX2SMN1; SMN2HPGD | |
| SCHEMBL30378242 | 0.66 | EPHX2 (0.54) | ALDH1A1EPHX2SMN1; SMN2HPGDRAB9A | |
| SCHEMBL16028787 | 0.66 | ALDH1A1 (0.43) | ALDH1A1GAAKDM4ESMN1; SMN2HPGD | |
| SCHEMBL17377336 | 0.65 | EGFR (0.36) | ALDH1A1GAAKDM4EHPGDADORA2B | |
| SCHEMBL2271787 | 0.65 | L3MBTL1 (0.47) | ALDH1A1GAAKDM4ESMN1; SMN2HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5939419-A | HYPOTENSIVE AGENTS AND BRONCHODILATOR AGENTS | SCHERING-PLOUGH CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0686157-A1 | 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM | SCHERING CORPORATION (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019351-A1 | 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM | SCHERING CORPORATION (US) | 1994-09-01 | — | — | WO | disclosed |