Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | MIF | P14174 | 3/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL462795 | 1.00 | TAAR1 (0.47) | TAAR1MIFAOC3FFAR1TRPA1 | |
| SCHEMBL1705584 | 0.90 | MIF (0.53) | TAAR1MIFFFAR1ALDH1A1CYP3A4 | |
| SCHEMBL484032 | 0.86 | MIF (0.40) | TAAR1MIFFFAR1ALDH1A1CYP3A4 | |
| SCHEMBL4799419 | 0.82 | TSHR (0.36) | TAAR1MIFFFAR1CYP3A4 | |
| SCHEMBL136577 | 0.81 | HTR2A (0.41) | TAAR1CYP2C19 | |
| SCHEMBL10537775 | 0.81 | MIF (0.40) | MIF | |
| SCHEMBL3267123 | 0.81 | RIPK1 (0.47) | TAAR1AOC3FFAR1TRPA1RIPK1 | |
| SCHEMBL6066034 | 0.81 | C3AR1 (0.47) | MIFFFAR1CYP3A4CYP2C19RAB9A | |
| SCHEMBL4699559 | 0.80 | MIF (0.68) | TAAR1MIFAOC3TRPA1RIPK1 | |
| SCHEMBL9181988 | 0.79 | CYP3A4 (0.46) | MIFFFAR1TRPA1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115108970-A | Diamide derivatives and pharmaceutical application thereof | 四川大学华西医院 | 2022-09-27 | — | — | CN | disclosed |