Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.34 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720374 | 0.97 | PSMB5 (0.35) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4723562 | 0.88 | MAPT (0.45) | ALDH1A1GAACYP2C9HTTMEN1 | |
| SCHEMBL4722329 | 0.87 | PSMB5 (0.40) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4720984 | 0.85 | ALDH1A1 (0.36) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4719402 | 0.85 | MAPT (0.44) | ALDH1A1GAACYP2C9HTTPSMB5 | |
| SCHEMBL4719701 | 0.84 | GAA (0.41) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4719005 | 0.84 | PSMB5 (0.41) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4720458 | 0.83 | MAPT (0.36) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4724434 | 0.80 | MEN1 (0.40) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 | |
| SCHEMBL4724658 | 0.80 | NPSR1 (0.43) | ALDH1A1GAAKDM4ECYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |