Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31643389 | 0.70 | MEN1 (0.59) | GAACYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL23732663 | 0.70 | FFAR4 (0.45) | FFAR1FFAR4 | |
| SCHEMBL11586577 | 0.65 | MAPK1 (0.51) | TRPA1ALDH1A1LMNAGAAHPGD | |
| SCHEMBL11586576 | 0.65 | MAPK1 (0.51) | TRPA1ALDH1A1LMNAGAAHPGD | |
| Hydrochloric Acid SCHEMBL11586141 | 0.64 | MAPK1 (0.50) | TRPA1ALDH1A1LMNAGAATSHR | |
| Hydrochloric Acid SCHEMBL11586138 | 0.64 | MAPK1 (0.50) | TRPA1ALDH1A1LMNAGAATSHR | |
| SCHEMBL699620 | 0.64 | TRPA1 (1.00) | TRPA1ALDH1A1LMNAHPGDRELA | |
| SCHEMBL699621 | 0.64 | TRPA1 (1.00) | TRPA1ALDH1A1LMNAHPGDRELA | |
| SCHEMBL8845585 | 0.64 | TRPA1 (1.00) | TRPA1ALDH1A1LMNAHPGDRELA | |
| SCHEMBL28134823 | 0.64 | TRPA1 (0.57) | TRPA1ALDH1A1LMNAHPGDRELA |
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-105646335-A | Synthetic method of 2,4,6-trisubstituted pyridine and fused-ring pyridin-2-one compound | 中国药科大学 | 2016-06-08 | — | — | CN | disclosed |