Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1665655 | 0.98 | CYP2D6 (0.33) | CYP2D6CYP2C19KDM4EMEN1ALDH1A1 | |
| SCHEMBL28993325 | 0.91 | CYP2D6 (0.30) | CYP2D6CYP2C19 | |
| SCHEMBL10672097 | 0.88 | KDM4E (0.34) | KDM4EMEN1ALDH1A1LMNABCHE | |
| Nitrobenzene SCHEMBL28851666 | 0.82 | ALDH1A1 (0.44) | KDM4EMEN1ALDH1A1LMNABCHE | |
| SCHEMBL29397612 | 0.77 | ALDH1A1 (0.31) | MEN1ALDH1A1LMNAPOLBHPGD | |
| SCHEMBL7214854 | 0.70 | ALDH1A1 (0.38) | CYP2D6CYP2C19KDM4EMEN1ALDH1A1 | |
| SCHEMBL1879515 | 0.69 | IDO1 (0.36) | CYP2D6CYP2C19KDM4EMEN1ALDH1A1 | |
| SCHEMBL5094569 | 0.67 | MEN1 (0.34) | CYP2C19KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL4238710 | 0.67 | MEN1 (0.34) | CYP2C19KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL10446467 | 0.67 | ALDH1A1 (0.34) | CYP2D6CYP2C19MEN1ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979833-A | Synthetic method of 1-fluoronaphthalene | 武汉瑞阳化工有限公司 | 2022-01-28 | — | — | CN | claimed |
| CN-113979833-A | Synthetic method of 1-fluoronaphthalene | 武汉瑞阳化工有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-113979833-A | Synthetic method of 1-fluoronaphthalene | 武汉瑞阳化工有限公司 | 2022-01-28 | — | — | CN | disclosed |