Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | LSS | P48449 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPTPOLBHSD17B10LMNA | |
| SCHEMBL28489904 | 0.84 | TAAR1 (0.49) | ALDH1A1MAPTKMT2AKDM4E | |
| SCHEMBL28489359 | 0.82 | ALDH1A1 (0.56) | CYP19A1LSSALDH1A1MAPTPOLB | |
| SCHEMBL28497515 | 0.81 | LMNA (0.48) | CYP19A1ALDH1A1MAPTPOLBHSD17B10 | |
| SCHEMBL28487986 | 0.81 | CA1 (0.50) | CYP19A1ALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL28489446 | 0.80 | LSS (0.41) | CYP19A1LSSALDH1A1LMNAKMT2A | |
| SCHEMBL28498453 | 0.74 | NQO2 (0.40) | ALDH1A1MAPTPOLBHSD17B10KMT2A | |
| SCHEMBL28498349 | 0.73 | ALDH1A1 (0.50) | LSSALDH1A1MAPTLMNA | |
| SCHEMBL28498697 | 0.73 | KMT2A (0.44) | CYP19A1ALDH1A1KMT2A | |
| SCHEMBL2064469 | 0.68 | CYP19A1 (0.63) | CYP19A1LSSALDH1A1MAPTKMT2A |
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 |