Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL23085881 | 0.85 | ALDH1A1 (0.57) | PDCD1CD274ALDH1A1APPSMN1; SMN2 | |
| SCHEMBL2463491 | 0.85 | NPC1 (0.63) | PDCD1CD274ALDH1A1APPSMN1; SMN2 | |
| SCHEMBL29377794 | 0.85 | ALDH1A1 (0.65) | PDCD1CD274ALDH1A1APPSMN1; SMN2 | |
| SCHEMBL752160 | 0.85 | ALDH1A1 (0.65) | PDCD1CD274ALDH1A1APPSMN1; SMN2 | |
| SCHEMBL3397230 | 0.83 | PDCD1 (0.67) | PDCD1CD274ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL6324586 | 0.82 | ALDH1A1 (0.57) | ALDH1A1APPSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6232167 | 0.81 | ALDH1A1 (0.65) | PDCD1CD274ALDH1A1GSK3BAPP | |
| SCHEMBL17201736 | 0.80 | GSK3B (0.56) | PDCD1CD274ALDH1A1GSK3BAPP | |
| SCHEMBL17201737 | 0.80 | GSK3B (0.56) | PDCD1CD274ALDH1A1GSK3BAPP | |
| SCHEMBL8983142 | 0.80 | NPC1 (0.65) | PDCD1CD274ALDH1A1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |