Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7306052 | 0.93 | ALDH1A1 (0.38) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL8681390 | 0.89 | CYP1A2 (0.36) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7310689 | 0.89 | ALDH1A1 (0.35) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7429981 | 0.88 | ITGA4 (0.35) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7303497 | 0.88 | ITGA4 (0.35) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7436134 | 0.88 | NPC1 (0.37) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7312708 | 0.86 | ALDH1A1 (0.37) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7311340 | 0.86 | POLB (0.40) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL8686162 | 0.86 | NPC1 (0.48) | ALDH1A1POLBMAPTHSD17B10TSHR | |
| SCHEMBL7310588 | 0.85 | HPGD (0.41) | ALDH1A1POLBMAPTHSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0525420-B1 | Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors | MITSUBISHI CHEM CORP (JP) | 1999-05-12 | — | — | EP | disclosed |
| US-5834508-A | PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-11-10 | — | — | US | disclosed |
| US-5639783-A | POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-06-17 | — | — | US | disclosed |