Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28918509 | 0.86 | ALDH5A1 (0.50) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL6982281 | 0.83 | PDK1 (0.55) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL10516619 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAALDH5A1ABATMAPT | |
| SCHEMBL662081 | 0.80 | ALDH1A1 (0.57) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Ethylene SCHEMBL9423753 | 0.80 | ALDH5A1 (0.65) | ALDH3A1ALDH1A1LMNAALDH5A1ABAT | |
| SCHEMBL22572791 | 0.78 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTHPGDHTT | |
| SCHEMBL531957 | 0.78 | ALDH1A1 (0.46) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL1414763 | 0.77 | ALDH5A1 (0.53) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL531831 | 0.77 | ALDH5A1 (0.50) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL5910982 | 0.77 | ALDH3A1 (0.47) | ALDH3A1ALDH1A1LMNACYP1A2CYP2D6 |
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-B | Propiolamido-containing 2-phenylimidazole derivative and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2021-07-06 | — | — | CN | disclosed |
| 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 |