Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.57 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111428 | 1.00 | LMNA (0.59) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL27917952 | 0.98 | LMNA (0.57) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL6057190 | 0.94 | HPGD (0.60) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL110817 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL5370832 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL106401 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL19348924 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL111221 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL5373212 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 | |
| SCHEMBL28975978 | 0.94 | LMNA (0.66) | LMNAALDH1A1TSHRESR1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107722022-A | A kind of compound and preparation method thereof | 中山大学 | 2018-02-23 | — | — | CN | disclosed |
| CN-107721781-A | Purposes of a kind of compound in terms of as energetic material | 中山大学 | 2018-02-23 | — | — | CN | disclosed |
| CN-107722023-A | A kind of compound and preparation method thereof | 中山大学 | 2018-02-23 | — | — | CN | disclosed |