Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 12/20 | 0.50 |
| ▸ | PPARA | Q07869 | 10/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9237130 | 1.00 | CYP1A2 (0.51) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9241640 | 0.91 | KMT2A (0.44) | CYP1A2CYP2C9CYP2C19PPARGPPARA | |
| SCHEMBL9241636 | 0.91 | KMT2A (0.44) | CYP1A2CYP2C9CYP2C19PPARGPPARA | |
| SCHEMBL9233763 | 0.88 | FFAR1 (0.45) | FFAR1 | |
| SCHEMBL9233755 | 0.88 | FFAR1 (0.45) | FFAR1 | |
| SCHEMBL9238843 | 0.88 | PPARG (0.50) | PPARGPPARAMMP12MMP13FFAR1 | |
| SCHEMBL9238852 | 0.88 | PPARG (0.50) | PPARGPPARAMMP12MMP13FFAR1 | |
| SCHEMBL9238489 | 0.85 | PPARG (0.55) | CYP1A2CYP2C9CYP2C19PPARGPPARA | |
| SCHEMBL9237967 | 0.85 | PPARG (0.55) | CYP1A2CYP2C9CYP2C19PPARGPPARA | |
| SCHEMBL9237973 | 0.85 | PPARG (0.55) | CYP1A2CYP2C9CYP2C19PPARGPPARA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1108240-A | Excitatory amino acid receptor antagonists | LILLY CO ELI (US) | 1995-09-13 | — | — | CN | disclosed |
| EP-0658539-A1 | Excitatory amino acid receptor antagonists | ELI LILLY AND COMPANY (US) | 1995-06-21 | — | — | EP | disclosed |