Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.41 |
| ▸ | BMP1 | P13497 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 4/20 | 0.41 |
| ▸ | EDNRB | P24530 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL28494817 | 0.91 | ALKBH5 (0.46) | MAPTALDH1A1RAB9AATMLMNA | |
| SCHEMBL28494986 | 0.86 | CYP3A4 (0.43) | MAPTALDH1A1NPC1TP53RAB9A | |
| SCHEMBL28498477 | 0.86 | CYP3A4 (0.43) | ALDH1A1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28489916 | 0.83 | NPC1 (0.60) | MAPTALDH1A1NPC1TP53TSHR | |
| SCHEMBL28489476 | 0.83 | BMP1 (0.44) | LMNAMAPK1ABCB1BMP1KMT2A | |
| SCHEMBL28493488 | 0.82 | CYP3A4 (0.37) | ALDH1A1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28496551 | 0.82 | CYP3A4 (0.46) | ALDH1A1NPC1TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL28498345 | 0.81 | CYP3A4 (0.39) | ALDH1A1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28498351 | 0.80 | ALDH1A1 (0.52) | MAPTALDH1A1NPC1TP53TSHR | |
| SCHEMBL28496770 | 0.78 | CYP3A4 (0.40) | ALDH1A1NPC1TP53RAB9ASMN1; SMN2 |
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 |