Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9349723 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL25592597 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL11133671 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL13964436 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL1913665 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL2913799 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL219209 | 0.77 | ALDH1A1 (0.80) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL11675997 | 0.76 | S1PR4 (0.58) | ALDH1A1CYP3A4POLBHTTLMNA | |
| SCHEMBL11815362 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP3A4POLBHTTLMNA | |
| Nitrogen SCHEMBL28796026 | 0.74 | ALDH1A1 (0.74) | ALDH1A1CYP3A4POLBHTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-3978040-A | Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-31 | — | — | US | disclosed |