Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 12/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 8/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.41 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27343171 | 0.98 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL8054688 | 0.90 | CHRNA7 (0.46) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL10452605 | 0.85 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL8569053 | 0.84 | DNM1 (0.47) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL30527250 | 0.81 | CHRNA7 (0.57) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL30354177 | 0.81 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL8965697 | 0.80 | CHRNA7 (0.41) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL8568870 | 0.80 | CYP1A2 (0.49) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9183119 | 0.80 | CHRNA7 (0.79) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Bromide SCHEMBL2350742 | 0.80 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 |
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-5705674-A | Process for preparing ortho-nitrobenzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |