Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 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 | |
|---|---|---|---|---|
| SCHEMBL28489904 | 0.87 | TAAR1 (0.49) | SMN1; SMN2KDM4EMAPTALDH1A1KMT2A | |
| SCHEMBL28493441 | 0.84 | ALDH1A1 (0.52) | LMNAPOLBSMN1; SMN2KDM4EMAPT | |
| SCHEMBL28509136 | 0.82 | ALDH1A1 (0.56) | LMNAPOLBHTTSMN1; SMN2KDM4E | |
| SCHEMBL28487986 | 0.81 | CA1 (0.50) | LMNASMN1; SMN2KDM4ECYP19A1MAPT | |
| SCHEMBL28498694 | 0.81 | CYP19A1 (0.45) | LMNAPOLBKDM4ECYP19A1MAPT | |
| SCHEMBL28509156 | 0.80 | HTR7 (0.40) | LMNAPOLBHTTSMN1; SMN2KDM4E | |
| SCHEMBL28498453 | 0.74 | NQO2 (0.40) | POLBKDM4EMAPTALDH1A1HSD17B10 | |
| SCHEMBL28489906 | 0.73 | ALDH1A1 (0.50) | LMNAPOLBHTTSMN1; SMN2KDM4E | |
| SCHEMBL28497517 | 0.73 | MAPT (0.49) | LMNAPOLBHTTSMN1; SMN2KDM4E | |
| SCHEMBL10447516 | 0.69 | TAAR1 (0.70) | LMNAPOLBHTTSMN1; SMN2CYP19A1 |
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 |