Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28135571 | 0.81 | MIF (0.50) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL636569 | 0.80 | CES2 (0.39) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL28155876 | 0.77 | CES2 (0.37) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL21259649 | 0.77 | MIF (0.35) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL23527680 | 0.77 | MIF (0.35) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL921583 | 0.75 | — | — | |
| SCHEMBL28070282 | 0.75 | — | — | |
| SCHEMBL28779349 | 0.74 | — | — | |
| SCHEMBL144120 | 0.74 | — | — | |
| SCHEMBL5902917 | 0.73 | ALOX5 (0.41) | ALOX5CES2CES1KEAP1ALDH1A1 |
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-4791131-A | ENZYME INHIBITORS | PFIZER INC. (US) | 1988-12-13 | — | — | US | disclosed |