Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | PPARG | P37231 | 1/20 | 0.61 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.61 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4543841 | 0.92 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL4543904 | 0.90 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL13707546 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL4544054 | 0.88 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL13707735 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL13707618 | 0.88 | CYP2C9 (0.59) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL13707592 | 0.87 | MAPT (0.67) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL4540894 | 0.87 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL4542470 | 0.86 | MAPT (0.66) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL4544052 | 0.86 | MAPT (0.66) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT |
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-2009117421-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009117421-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |