Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 9/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL31390053 | 0.94 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL30352865 | 0.89 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL31341192 | 0.88 | CTSK (0.48) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL31075393 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL24387324 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL29399499 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL18109724 | 0.84 | CTSK (0.50) | CTSKCTSSALDH1A1GAAKMT2A | |
| SCHEMBL31036530 | 0.84 | CTSK (0.50) | CTSKCTSSALDH1A1GAAKMT2A | |
| SCHEMBL18109722 | 0.84 | CTSK (0.50) | CTSKCTSSALDH1A1GAAKMT2A | |
| SCHEMBL28766288 | 0.84 | CTSK (0.55) | CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863812-A4 | DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT | LG LIFE SCIENCES LTD (KR) | 2009-06-24 | — | — | EP | disclosed |
| EP-1863812-A1 | DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT | LG Life Sciences Ltd. (KR) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006104356-A1 | DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT | LG LIFE SCIENCES, LTD. (KR) | 2006-10-05 | — | — | WO | disclosed |