Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | XPO1 | O14980 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BCL2A1 | Q16548 | 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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL20449045 | 0.83 | GSTO1 (0.45) | CYP3A4THRB | |
| Acrylic Acid Ethyl Ester SCHEMBL11208037 | 0.80 | THRB (0.41) | MAPTALDH1A1L3MBTL1KMT2ACYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL27630706 | 0.80 | TSHR (0.54) | MAPTALDH1A1HCAR2KMT2ASMN1; SMN2 | |
| Acrylic Acid Ethyl Ester SCHEMBL27784000 | 0.79 | MAPT (0.45) | MAPTALDH1A1L3MBTL1KMT2ACYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL28790733 | 0.79 | GSTO1 (0.42) | MAPTGAAALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL1592472 | 0.79 | HCAR2 (0.68) | ALDH1A1HCAR2CYP3A4HTTTHRB | |
| Pyrene SCHEMBL31384336 | 0.78 | CYP1A2 (0.43) | MAPTALDH1A1L3MBTL1CYP3A4THRB | |
| Acrylic Acid Ethyl Ester SCHEMBL27601900 | 0.78 | TSHR (0.52) | MAPTALDH1A1HCAR2KMT2ASMN1; SMN2 | |
| Acrylic Acid Ethyl Ester SCHEMBL8829513 | 0.78 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL3180 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452169-A | A method of building tetrahydroisoquinolicompounds compounds | FUJIAN INST RES STR MATTER CAS | 2019-11-15 | — | — | CN | disclosed |