Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL27465499 | 0.71 | KMT2A (0.40) | GAAMAPTALDH1A1ADORA2ANPC1 | |
| Benzene SCHEMBL8401599 | 0.67 | TSHR (0.48) | GAAMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL7483874 | 0.66 | HDAC1 (0.41) | MAPTALDH1A1RXFP1KEAP1 | |
| SCHEMBL19873809 | 0.65 | PDE3B (0.46) | MAPTALDH1A1RXFP1 | |
| SCHEMBL12303227 | 0.64 | ABCB1 (0.54) | GAAMAPTSLC5A1SLC5A2ALDH1A1 | |
| SCHEMBL4989754 | 0.63 | KDM4E (0.49) | MAPTALDH1A1 | |
| Phenyl Propionic Acid SCHEMBL29473504 | 0.62 | KEAP1 (0.95) | MAPTALDH1A1RXFP1KEAP1FFAR1 | |
| Phenyl Propionic Acid SCHEMBL6534964 | 0.62 | KEAP1 (0.95) | MAPTALDH1A1RXFP1KEAP1FFAR1 | |
| Phenyl Propionic Acid SCHEMBL14715905 | 0.62 | KEAP1 (0.95) | MAPTALDH1A1RXFP1KEAP1FFAR1 | |
| SCHEMBL12874520 | 0.62 | KMT2A (0.66) | GAAMAPTALDH1A1RXFP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5973111-A | NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1999-10-26 | — | — | US | disclosed |