Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.65 |
| ▸ | FBP1 | P09467 | 2/20 | 0.62 |
| ▸ | VCP | P55072 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | METAP1 | P53582 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
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 SCHEMBL54487 | 0.98 | NFE2L2 (0.67) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL29573715 | 0.98 | NFE2L2 (0.67) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL28992832 | 0.96 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL27737710 | 0.96 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL27848961 | 0.96 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL11144750 | 0.94 | NFE2L2 (0.62) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL28126970 | 0.92 | GLO1 (0.61) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL28167125 | 0.92 | NFE2L2 (0.61) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL8748161 | 0.89 | NFE2L2 (0.57) | NFE2L2FBP1VCPCYP19A1TSHR | |
| 3-Nitrobenzaldehyde SCHEMBL29249113 | 0.89 | NFE2L2 (0.57) | NFE2L2FBP1VCPCYP19A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106187904-A | 2-phenylimidazole analog derivative containing propioloyl amido and preparation method thereof and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2016-12-07 | — | — | CN | claimed |
| CN-106187904-A | 2-phenylimidazole analog derivative containing propioloyl amido and preparation method thereof and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2016-12-07 | — | — | CN | disclosed |