Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 6/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7312907 | 0.94 | HPGD (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7302470 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7303765 | 0.82 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7311204 | 0.81 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7301633 | 0.78 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7312922 | 0.77 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7303788 | 0.75 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7307771 | 0.74 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7303761 | 0.74 | MMP3 (0.43) | ALDH1A1POLBCTSLCTSB | |
| SCHEMBL7312916 | 0.73 | POLB (0.46) | ALDH1A1POLBCTSLCTSBCTSS |
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-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 |
| EP-0525420-A1 | Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors | Mitsubishi Chemical Corporation (JP) | 1993-02-03 | — | — | EP | disclosed |