Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28054095 | 0.87 | TSHR (0.53) | TSHRCYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL2721649 | 0.85 | TSHR (0.55) | TSHRCYP3A4ALDH1A1MAPTNPC1 | |
| SCHEMBL16529634 | 0.83 | ALDH1A1 (0.55) | TSHRCYP3A4ALDH1A1MAPTNPC1 | |
| SCHEMBL27995918 | 0.81 | TSHR (0.50) | TSHRCYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL28051861 | 0.81 | GPR35 (0.49) | TSHRCYP3A4ALDH1A1MAPTGPR35 | |
| SCHEMBL406111 | 0.80 | TSHR (0.60) | TSHRCYP3A4ALDH1A1GPR35NPC1 | |
| SCHEMBL3112702 | 0.80 | TSHR (0.60) | TSHRCYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL8494822 | 0.78 | TSHR (0.58) | TSHRCYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL9542579 | 0.78 | TSHR (0.58) | TSHRCYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL404538 | 0.78 | TSHR (0.58) | TSHRCYP3A4ALDH1A1MAPTHTT |
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-109553534-A | A kind of preparation method of 2- nitro -4- methoxy benzoic acid | 常州大学 | 2019-04-02 | — | — | CN | disclosed |