Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.52 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4799610 | 0.95 | ALDH1A1 (0.64) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL4799596 | 0.95 | ALDH1A1 (0.64) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL18887562 | 0.86 | LMNA (0.52) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL29619725 | 0.85 | USP2 (0.67) | ALDH1A1HTTPOLBNPC1RAB9A | |
| SCHEMBL27627515 | 0.85 | ALDH1A1 (0.79) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL4978089 | 0.85 | ALDH1A1 (0.67) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL9282043 | 0.83 | KCNH2 (0.56) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL9282048 | 0.83 | KCNH2 (0.56) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL3106245 | 0.82 | RHOC (0.62) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 | |
| SCHEMBL2442864 | 0.82 | HTT (0.54) | ALDH1A1CYP2C9CYP2C19HTTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008093960-A1 | NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS | LG LIFE SCIENCES, LTD. (KR) | 2008-08-07 | — | — | WO | disclosed |