Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | EDNRA | P25101 | 5/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | BMP1 | P13497 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493313 | 0.87 | EDNRA (0.54) | RAB9AALDH1A1TP53MAPTSMN1; SMN2 | |
| SCHEMBL28498337 | 0.83 | MAPT (0.45) | NPC1RAB9AALDH1A1TP53MAPT | |
| SCHEMBL28491345 | 0.82 | SMN1; SMN2 (0.58) | NPC1RAB9AMAPTSMN1; SMN2EDNRA | |
| SCHEMBL28488784 | 0.81 | OPRM1 (0.42) | NPC1RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL28498545 | 0.81 | RAB9A (0.48) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28498492 | 0.80 | BMP1 (0.48) | NPC1RAB9AALDH1A1TP53MAPT | |
| SCHEMBL28509140 | 0.78 | RAB9A (0.48) | NPC1RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL19625532 | 0.77 | NPC1 (0.58) | NPC1RAB9AALDH1A1TP53MAPT | |
| SCHEMBL10940868 | 0.77 | NPC1 (0.58) | NPC1RAB9AALDH1A1TP53MAPT | |
| SCHEMBL7439246 | 0.77 | NPC1 (0.58) | NPC1RAB9AALDH1A1TP53MAPT |
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 |