Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.36 |
| ▸ | NPC1 | O15118 | 7/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28491342 | 0.82 | SMN1; SMN2 (0.51) | RAB9ANPC1KMT2AOPRM1SMN1; SMN2 | |
| SCHEMBL28498488 | 0.81 | SMN1; SMN2 (0.51) | RAB9ANPC1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL28498544 | 0.81 | ERN1 (0.44) | RAB9ANPC1KMT2ASMN1; SMN2HTT | |
| SCHEMBL28493487 | 0.80 | GAA (0.37) | RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28509138 | 0.80 | NQO2 (0.48) | RAB9ANPC1KMT2ASMN1; SMN2HTT | |
| SCHEMBL28489915 | 0.79 | SMN1; SMN2 (0.56) | RAB9ANPC1KMT2AADORA3ADORA1 | |
| SCHEMBL28491356 | 0.76 | ALDH1A1 (0.40) | RAB9ANPC1KMT2ASMN1; SMN2HTT | |
| SCHEMBL28493310 | 0.75 | RAB9A (0.53) | RAB9ANPC1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL30627545 | 0.74 | NQO2 (0.47) | RAB9ANPC1KMT2ASMN1; SMN2HTT | |
| SCHEMBL20564075 | 0.71 | NPC1 (0.43) | RAB9ANPC1KMT2ASMN1; SMN2HTT |
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 |