Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 4/20 | 0.32 |
| ▸ | MAOB | P27338 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9439494 | 1.00 | ALDH1A1 (0.34) | ALDH1A1BCHELMNAHTTNPSR1 | |
| SCHEMBL10375420 | 0.85 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL9053809 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNAMAOAMAOBKDM1A | |
| SCHEMBL10604754 | 0.74 | MMP9 (0.33) | MMP9 | |
| SCHEMBL9439807 | 0.72 | LTA4H (0.40) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL6922576 | 0.71 | MAOA (0.38) | ALDH1A1LMNAMAOAMAOBKDM1A | |
| SCHEMBL9767801 | 0.71 | MAOA (0.38) | ALDH1A1LMNAMAOAMAOBKDM1A | |
| SCHEMBL9767803 | 0.71 | MAOA (0.38) | ALDH1A1LMNAMAOAMAOBKDM1A | |
| SCHEMBL9439398 | 0.69 | MEN1 (0.39) | ALDH1A1LMNAHTTNPSR1L3MBTL1 | |
| SCHEMBL7437205 | 0.69 | LMNA (0.40) | ALDH1A1LMNAHTTNPSR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5292913-A | Labeling with deuterium or tritium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0262227-B1 | PROCESS FOR THE PREPARATION OF MYOINOSITOL DERIVATIVES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-01-20 | — | — | EP | disclosed |
| US-4952717-A | Myoinositol derivatives and preparation process thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-08-28 | — | — | US | disclosed |
| EP-0262227-A1 | Process for the preparation of myoinositol derivatives | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1988-04-06 | — | — | EP | disclosed |