Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | QPCT | Q16769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6723712 | 0.81 | ADORA2B (0.37) | ALDH1A1PDE5ANPC1KDM4E | |
| SCHEMBL6719573 | 0.77 | GRIK1 (0.47) | ALDH1A1PDE5ANPC1KDM4EPKM | |
| SCHEMBL6726785 | 0.72 | NPC1 (0.37) | ALDH1A1NPC1 | |
| SCHEMBL25344514 | 0.71 | ALDH1A1 (0.39) | ALDH1A1NPC1KDM4EPKM | |
| SCHEMBL6730106 | 0.71 | ALDH1A1 (0.39) | ALDH1A1NPC1 | |
| SCHEMBL25344264 | 0.71 | TYMP (0.48) | ALDH1A1 | |
| SCHEMBL6722438 | 0.70 | ATM (0.38) | ALDH1A1NPC1KDM4E | |
| SCHEMBL6722467 | 0.69 | PDE4A (0.60) | ALDH1A1 | |
| SCHEMBL6719104 | 0.68 | NPC1 (0.53) | ALDH1A1NPC1KDM4ETNKSPARP1 | |
| SCHEMBL6723898 | 0.68 | PNP (0.36) | ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6673804-B1 | PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) | SANKYO COMPANY, LIMITED (JP) | 2004-01-06 | — | — | US | disclosed |
| EP-1069110-A1 | SULFONAMIDE DERIVATIVES | Sankyo Company Limited (JP) | 2001-01-17 | — | — | EP | disclosed |