Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.54 |
| ▸ | BMP1 | P13497 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28496879 | 0.87 | NPC1 (0.65) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL28504348 | 0.86 | ALKBH5 (0.62) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL28493310 | 0.86 | RAB9A (0.53) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL25987647 | 0.84 | SMN1; SMN2 (0.74) | RAB9AALDH1A1SMN1; SMN2NPC1TSHR | |
| SCHEMBL27981072 | 0.84 | RAB9A (0.87) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL28495982 | 0.83 | HTT (0.60) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL8802872 | 0.81 | RAB9A (0.63) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL28493313 | 0.80 | EDNRA (0.54) | RAB9AALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL28494815 | 0.79 | RAB9A (0.47) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL6856291 | 0.79 | HPGD (0.70) | RAB9AALDH1A1SMN1; SMN2NPC1MAPT |
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 |