Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4201610 | 0.77 | PKM (0.44) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4203662 | 0.75 | NPC1 (0.48) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| Cyclohexanol SCHEMBL4190330 | 0.75 | NPC1 (0.50) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4198105 | 0.74 | NPC1 (0.49) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL27705254 | 0.73 | ALDH1A1 (0.46) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4199654 | 0.73 | NPC1 (0.50) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4190323 | 0.72 | NPC1 (0.47) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4190326 | 0.72 | NPC1 (0.47) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4189902 | 0.72 | NPC1 (0.45) | PKMMCOLN3ALDH1A1NPC1TP53 | |
| SCHEMBL4190549 | 0.71 | PKM (0.49) | PKMMCOLN3ALDH1A1NPC1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879877-A2 | ANTIMICROBIAL AGENTS | Ranbaxy Laboratories Limited (IN) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006117762-A2 | ANTIMICROBIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-09 | — | — | WO | disclosed |