Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3920792 | 0.88 | ESR1 (0.47) | HDAC4HDAC6ALDH1A1RECQLMMP8 | |
| SCHEMBL3629075 | 0.88 | LMNA (0.50) | HDAC4HDAC6ALDH1A1RECQLMMP8 | |
| SCHEMBL25223158 | 0.87 | CYP3A4 (0.53) | HDAC4HDAC6ALDH1A1RECQLMMP8 | |
| SCHEMBL27167976 | 0.87 | LMNA (0.46) | HDAC4HDAC6ALDH1A1RECQLMMP8 | |
| SCHEMBL10021176 | 0.87 | ALDH1A1 (0.42) | HDAC4HDAC6ALDH1A1RECQLMMP8 | |
| SCHEMBL2010765 | 0.86 | ALDH1A1 (0.59) | ALDH1A1RECQLMMP8LMNAPOLB | |
| SCHEMBL3912206 | 0.85 | ALDH1A1 (0.53) | HDAC4HDAC6ALDH1A1LMNAHDAC3 | |
| SCHEMBL31275152 | 0.82 | LMNA (0.46) | ALDH1A1LMNAPOLBNPC1RAB9A | |
| SCHEMBL12019025 | 0.79 | HDAC4 (0.47) | HDAC4HDAC6ALDH1A1LMNAPOLB | |
| SCHEMBL16595186 | 0.79 | CYP1A2 (0.45) | ALDH1A1RECQLMMP8POLBNPSR1 |
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-105085433-B | Substituted amide phenol compound and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2019-06-25 | — | — | CN | disclosed |
| CN-105085433-A | Substituted-amide phenolic compound, preparation method, pharmaceutical composition and application thereof | SHANGHAI INST MATERIA MEDICA | 2015-11-25 | — | — | CN | disclosed |