Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6636617 | 0.91 | CA12 (0.44) | CA12CA9CA2CYP3A4NPC1 | |
| SCHEMBL11460809 | 0.91 | CA12 (0.44) | CA12CA9CA2CYP3A4NPC1 | |
| SCHEMBL104712 | 0.86 | NPC1 (0.48) | CA12CA9CYP3A4NPC1L3MBTL1 | |
| SCHEMBL104713 | 0.86 | NPC1 (0.48) | CA12CA9CYP3A4NPC1L3MBTL1 | |
| SCHEMBL19854404 | 0.81 | ZDHHC20 (0.50) | CA12CA9CA2CYP3A4NPC1 | |
| SCHEMBL9113592 | 0.81 | CA12 (0.40) | CA12CA9CA2CYP3A4NPC1 | |
| SCHEMBL19917777 | 0.81 | ZDHHC20 (0.50) | CA12CA9CA2CYP3A4NPC1 | |
| SCHEMBL1834006 | 0.79 | CA12 (0.50) | CA12CA9CA2CYP3A4NPC1 | |
| SCHEMBL11433922 | 0.78 | CA12 (0.48) | CA12CA9CA2CYP3A4LMNA | |
| SCHEMBL11460819 | 0.78 | CA12 (0.48) | CA12CA9CA2CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1114834-A | antidiabetic agent | OTSUKA PHARMA CO LTD (JP) | 1996-01-10 | — | — | CN | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |