Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 9/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.49 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7005383 | 0.79 | ALDH1A1 (0.35) | ALDH1A1MAPK1 | |
| SCHEMBL7011575 | 0.77 | CA2 (0.34) | GSTP1GSTM2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6869777 | 0.76 | GSTP1 (0.35) | GSTP1GSTM2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8914485 | 0.75 | RAB9A (0.52) | ALDH1A1KMT2ARAB9ANPC1CYP1A2 | |
| SCHEMBL6871755 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL8409941 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6866176 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL6861455 | 0.73 | PTGS2 (0.38) | ALDH1A1 | |
| SCHEMBL8916464 | 0.73 | DRD3 (0.43) | ALDH1A1KMT2A | |
| SCHEMBL8915085 | 0.72 | LMNA (0.33) | ALDH1A1RAB9ANPC1MAPK1HSD17B10 |
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 |