Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15534580 | 0.85 | S1PR1 (0.48) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL16956630 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL8930901 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL3859990 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL23754863 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL11359423 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL13179961 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| SCHEMBL12490229 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19LMNAL3MBTL1GAA | |
| Water SCHEMBL29281670 | 0.76 | ESR1 (0.44) | CYP1A2GAAALDH1A1TDP1KMT2A | |
| Water SCHEMBL127828 | 0.76 | TAAR1 (0.58) | ALDH1A1TSHRTDP1HPGDTAAR1 |
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-105330565-A | Novel method for catalytically synthesizing cyanobenzene derivative through copper | UNIV HANGZHOU NORMAL | 2016-02-17 | — | — | CN | disclosed |