Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | CTSD | P07339 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.60 |
| ▸ | MAOB | P27338 | 2/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA3 | P07451 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1998504 | 0.88 | ALDH1A1 (0.57) | ALDH1A1TDP1CTSDGAALMNA | |
| SCHEMBL3369514 | 0.83 | ALDH1A1 (0.72) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL92754 | 0.83 | ALDH1A1 (0.72) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL3371479 | 0.83 | ALDH1A1 (0.72) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL585745 | 0.83 | ALDH1A1 (0.72) | ALDH1A1TDP1GAALMNAKMT2A | |
| Hydrazobenzene SCHEMBL51179 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDGAALMNA | |
| SCHEMBL19737269 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDGAALMNA | |
| SCHEMBL11318231 | 0.79 | GAA (0.78) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL11309040 | 0.79 | GAA (0.78) | ALDH1A1TDP1GAALMNAKMT2A | |
| SCHEMBL8557531 | 0.77 | — | — |
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-109400505-B | Azobenzene isonitrile monomer, polymer thereof and preparation method of polymer | 合肥工业大学 | 2021-01-15 | — | — | CN | disclosed |