Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | PKM | P14618 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PKLR | P30613 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493441 | 0.88 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ATSHRKDM4E | |
| SCHEMBL28497515 | 0.87 | LMNA (0.48) | ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28487986 | 0.84 | CA1 (0.50) | ALDH1A1PKMMEN1KMT2AKDM4E | |
| SCHEMBL28498694 | 0.84 | CYP19A1 (0.45) | ALDH1A1KMT2AKDM4EMAPT | |
| SCHEMBL28497471 | 0.81 | ALDH1A1 (0.59) | TAAR1ALDH1A1PKMKMT2ATSHR | |
| SCHEMBL28903711 | 0.79 | ALDH1A1 (0.47) | TAAR1ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL28498453 | 0.77 | NQO2 (0.40) | TAAR1ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL28491363 | 0.71 | ALDH1A1 (0.64) | TAAR1ALDH1A1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL28489905 | 0.71 | PKM (0.49) | ALDH1A1PKMMEN1KMT2ATSHR | |
| SCHEMBL4639533 | 0.69 | SFRP1 (0.57) | ALDH1A1PKMMEN1KMT2ATSHR |
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-112110932-B | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2021-12-28 | — | — | CN | disclosed |
| CN-112110932-A | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2020-12-22 | — | — | CN | disclosed |