Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8878920 | 0.77 | HCAR2 (0.37) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL10184044 | 0.74 | — | — | |
| SCHEMBL28897438 | 0.74 | — | — | |
| SCHEMBL16796619 | 0.72 | CYP1A2 (0.33) | SLC6A3CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL20547842 | 0.71 | CYP1A2 (0.33) | TDP1SLC6A3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20547845 | 0.71 | CYP1A2 (0.33) | TDP1SLC6A3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9654892 | 0.70 | — | — | |
| SCHEMBL10184046 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL20521263 | 0.69 | CYP1A2 (0.33) | SLC6A3CYP1A2CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL20548189 | 0.69 | CYP1A2 (0.33) | SLC6A3CYP1A2CYP2C9CYP2C19MEN1 |
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-106795178-B | Substituted pyrimidinium compounds for controlling animal pests | 巴斯夫欧洲公司 | 2020-05-26 | — | — | CN | disclosed |