Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | EDNRA | P25101 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28491345 | 0.88 | SMN1; SMN2 (0.58) | RAB9ANPC1KDM4EHPGDCYP3A4 | |
| SCHEMBL28488784 | 0.81 | OPRM1 (0.42) | RAB9ANPC1HPGDCYP3A4OPRM1 | |
| SCHEMBL28498345 | 0.81 | CYP3A4 (0.39) | RAB9ANPC1KDM4EHPGDCYP3A4 | |
| SCHEMBL28498545 | 0.79 | RAB9A (0.48) | RAB9ANPC1HPGDCYP3A4OPRM1 | |
| SCHEMBL28491357 | 0.79 | KMT2A (0.42) | RAB9AHPGDEDNRAKMT2AMEN1 | |
| SCHEMBL28489916 | 0.78 | NPC1 (0.60) | RAB9ANPC1HPGDCYP3A4OPRM1 | |
| SCHEMBL28493313 | 0.77 | EDNRA (0.54) | RAB9ACYP3A4EDNRAKMT2ASMN1; SMN2 | |
| SCHEMBL30932891 | 0.76 | SMN1; SMN2 (0.75) | RAB9ANPC1HPGDKMT2ASMN1; SMN2 | |
| SCHEMBL8220475 | 0.76 | CTSS (0.44) | HPGDKMT2AMEN1GAAADRB2 | |
| SCHEMBL3818584 | 0.76 | EDNRA (0.50) | RAB9ANPC1KDM4EHPGDEDNRA |
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 |