Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.54 |
| ▸ | FBP1 | P09467 | 2/20 | 0.50 |
| ▸ | VCP | P55072 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 3-Nitrobenzaldehyde SCHEMBL29573715 | 0.85 | NFE2L2 (0.67) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL54487 | 0.85 | NFE2L2 (0.67) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL28126970 | 0.84 | GLO1 (0.61) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL28167125 | 0.84 | NFE2L2 (0.61) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL27848961 | 0.84 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL28992832 | 0.84 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL27737710 | 0.84 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL28115599 | 0.84 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL11144750 | 0.82 | NFE2L2 (0.62) | NFE2L2FBP1VCPCYP19A1ALDH1A1 | |
| Isophthalic Dicarboxaldehyde SCHEMBL3536987 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150689-A1 | CHEMICAL COMPOUNDS | NORSK HYDRO ASA (NO) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000048609-A1 | CHEMICAL COMPOUNDS | NORSK HYDRO ASA (NO) | 2000-08-24 | — | — | WO | disclosed |
| US-4910345-A | Using water, emulsifier mixture without crystallization; separation | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-20 | — | — | US | disclosed |