Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917969 | 0.95 | NPC1 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8914929 | 0.94 | RAB9A (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8916190 | 0.92 | RAB9A (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8916092 | 0.92 | MAPT (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8916642 | 0.90 | MAPT (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8916098 | 0.89 | NPC1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8916227 | 0.89 | RAB9A (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8916071 | 0.88 | MAPT (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8914619 | 0.88 | RAB9A (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL8914676 | 0.88 | RAB9A (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5616581-A | BACTERICIDES | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| US-5504082-A | BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-04-02 | — | — | US | disclosed |
| EP-0644191-A1 | PYRIDINE COMPOUND AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1995-03-22 | — | — | EP | disclosed |