Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | MAOB | P27338 | 4/20 | 0.63 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | BCHE | P06276 | 1/20 | 0.63 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.63 |
| ▸ | ACHE | P22303 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.63 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | NPY1R | P25929 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | NPY2R | P49146 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Chalcone SCHEMBL28300656 | 0.88 | MAOB (0.58) | CYP1B1MAPTMAOBPLIN1LMNA | |
| SCHEMBL9584082 | 0.85 | MAPT (0.77) | CYP1B1MAPTMAOBPLIN1LMNA | |
| SCHEMBL29419005 | 0.85 | MAPT (0.77) | CYP1B1MAPTMAOBPLIN1LMNA | |
| SCHEMBL979175 | 0.85 | MAPT (0.77) | CYP1B1MAPTMAOBPLIN1LMNA | |
| SCHEMBL29876093 | 0.85 | MAPT (0.77) | CYP1B1MAPTMAOBPLIN1LMNA | |
| Chalcone SCHEMBL27913991 | 0.81 | CYP1B1 (0.88) | CYP1B1MAPTMAOBPLIN1LMNA | |
| Chalcone SCHEMBL28873552 | 0.80 | CYP1B1 (0.63) | CYP1B1MAPTMAOBPLIN1LMNA | |
| Benzoic Acid SCHEMBL27844693 | 0.80 | NPC1 (0.54) | CYP1B1MAPTALDH1A1HPGDCYP1A1 | |
| Bicarbonate SCHEMBL8390328 | 0.79 | HDAC8 (0.51) | CYP1B1MAPTLMNAALDH1A1HPGD | |
| Bicarbonate SCHEMBL6438151 | 0.79 | HDAC8 (0.51) | CYP1B1MAPTLMNAALDH1A1HPGD |
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-115090331-A | Supramolecular chiral catalyst, preparation method thereof and application thereof in catalyzing D-A reaction | 扬州大学 | 2022-09-23 | — | — | CN | claimed |
| CN-115090331-B | Supermolecule chiral catalyst, preparation method thereof and application of supermolecule chiral catalyst in catalyzing D-A reaction | 扬州大学 | 2023-05-16 | — | — | CN | disclosed |