Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.68 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | PRF1 | P14222 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL70783 | 0.96 | APP (0.67) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL10472980 | 0.92 | APP (0.73) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL7006689 | 0.86 | APP (0.91) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL28831708 | 0.84 | APP (0.59) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL30903820 | 0.84 | APP (0.94) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL5399485 | 0.84 | APP (0.94) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL30903823 | 0.84 | APP (0.94) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL30903822 | 0.84 | APP (0.94) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL14713496 | 0.81 | APP (1.00) | APPCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL2592315 | 0.81 | APP (1.00) | APPCYP2E1CYP3A4CYP2A6CYP2C9 |
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-2015172047-A1 | CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS | MERCK SHARP & DOHME CORP. (US) | 2015-11-12 | — | — | WO | disclosed |
| WO-2010075215-A1 | NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS | CUBIST PHARMACEUTICALS, INC. (US) | 2010-07-01 | — | — | WO | disclosed |