Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TOP1 | P11387 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5820441 | 0.91 | ALDH1A1 (0.34) | PTGS2CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5814748 | 0.87 | KCNH2 (0.33) | NPC1RAB9APTGS2CYP1A2ALDH1A1 | |
| SCHEMBL5817989 | 0.86 | NPC1 (0.34) | SMN1; SMN2MEN1KMT2ANPC1LMNA | |
| SCHEMBL5816497 | 0.85 | PSD (0.39) | SMN1; SMN2MEN1KMT2ANPC1LMNA | |
| SCHEMBL5815540 | 0.81 | KDM4E (0.42) | SMN1; SMN2MEN1KMT2ANPC1LMNA | |
| SCHEMBL4747882 | 0.79 | POLB (0.33) | CYP1A2ALDH1A1CYP2C9CYP2C19GAA | |
| SCHEMBL5814749 | 0.69 | ADORA2A (0.35) | SMN1; SMN2MEN1KMT2ANPC1LMNA | |
| SCHEMBL4750210 | 0.67 | EGFR (0.39) | SMN1; SMN2NPC1RAB9APTGS2CYP1A2 | |
| SCHEMBL5813978 | 0.66 | KDM4E (0.38) | RAB9APTGS2ALDH1A1KDM4EMAPK1 | |
| SCHEMBL4795580 | 0.64 | MEN1 (0.36) | SMN1; SMN2MEN1KMT2ANPC1LMNA |
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-2006112666-A1 | PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SK CHEMICALS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |