Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | AKR1B10 | O60218 | 5/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL31606878 | 0.90 | HCAR2 (0.61) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| SCHEMBL355843 | 0.82 | HCAR2 (0.72) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| SCHEMBL355844 | 0.82 | HCAR2 (0.72) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| SCHEMBL8708780 | 0.82 | HCAR2 (0.72) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| SCHEMBL29599810 | 0.80 | TDP1 (0.53) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| SCHEMBL43967 | 0.80 | HCAR2 (0.59) | LMNAAKR1B10AKR1B1SMN1; SMN2HCAR2 | |
| SCHEMBL28897720 | 0.79 | LMNA (0.72) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| SCHEMBL146669 | 0.79 | THRB (0.63) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| Phenylpropyl Fumarate SCHEMBL3482832 | 0.78 | HCAR2 (0.81) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 | |
| Phenylpropyl Fumarate SCHEMBL27216278 | 0.78 | HCAR2 (0.81) | LMNAAKR1B10AKR1B1SMN1; SMN2NPC1 |
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-114933512-A | Method for synthesizing ester compound under photocatalysis condition | 河南大学 | 2022-08-23 | — | — | CN | disclosed |
| WO-2002045853-A1 | LEWIS ACID CATALYSIS USING CHIRAL METAL COMPLEXES | DOYLE MICHAEL P (US) | 2002-06-13 | — | — | WO | disclosed |