Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 5/20 | 0.37 |
| ▸ | HLCS | P50747 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 3/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28437706 | 1.00 | CYP1A2 (0.46) | CYP1A2ALDH1A1L3MBTL1NAAAHLCS | |
| SCHEMBL5385959 | 0.98 | CYP1A2 (0.47) | CYP1A2ALDH1A1L3MBTL1NAAAHLCS | |
| SCHEMBL9342752 | 0.98 | CYP1A2 (0.47) | CYP1A2ALDH1A1L3MBTL1NAAAHLCS | |
| SCHEMBL5385955 | 0.98 | CYP1A2 (0.47) | CYP1A2ALDH1A1L3MBTL1NAAAHLCS | |
| SCHEMBL5105272 | 0.92 | CYP1A2 (0.41) | CYP1A2ALDH1A1L3MBTL1NAAAPDE4A | |
| SCHEMBL5105262 | 0.92 | CYP1A2 (0.41) | CYP1A2ALDH1A1L3MBTL1NAAAPDE4A | |
| SCHEMBL16229993 | 0.92 | CYP1A2 (0.41) | CYP1A2ALDH1A1L3MBTL1NAAAPDE4A | |
| SCHEMBL1777044 | 0.84 | — | — | |
| SCHEMBL1202062 | 0.84 | — | — | |
| SCHEMBL1777117 | 0.84 | — | — |
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-2022098950-A1 | COMPOUNDS | SPERO THERAPEUTICS, INC. (US) | 2022-05-12 | — | — | WO | disclosed |