Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 5/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914916 | 0.90 | RAB9A (0.49) | GRIN2BRAB9ANPC1PDE10AALDH1A1 | |
| SCHEMBL8914888 | 0.86 | DRD2 (0.42) | RAB9ANPC1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL8915115 | 0.85 | RAB9A (0.40) | GRIN2BRAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL8915109 | 0.85 | RAB9A (0.43) | RAB9ASMN1; SMN2NPC1HPGDTP53 | |
| SCHEMBL7849078 | 0.79 | TP53 (0.41) | GRIN2BRAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL8805150 | 0.78 | RAB9A (0.54) | GRIN2BRAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL8914425 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KDM4EDRD2DRD3LMNA | |
| SCHEMBL8915296 | 0.78 | KDM4E (0.52) | ALDH1A1KDM4EPOLBDRD2DRD3 | |
| Hydrochloric Acid SCHEMBL8430958 | 0.77 | RAB9A (0.53) | GRIN2BRAB9ASMN1; SMN2NPC1HPGD | |
| SCHEMBL8915325 | 0.76 | RAB9A (0.55) | GRIN2BRAB9ASMN1; SMN2NPC1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0644191-A1 | PYRIDINE COMPOUND AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1995-03-22 | — | — | EP | claimed |
| 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 |