Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28498351 | 0.91 | ALDH1A1 (0.52) | ALKBH5RAB9AALDH1A1CYP3A4KMT2A | |
| SCHEMBL28487835 | 0.86 | RAB9A (0.65) | RAB9AALDH1A1CYP3A4KMT2AGLA | |
| SCHEMBL28501713 | 0.85 | CYP3A4 (0.61) | ALKBH5RAB9AALDH1A1CYP3A4KMT2A | |
| SCHEMBL28496485 | 0.85 | CYP3A4 (0.63) | ALKBH5RAB9AALDH1A1CYP3A4KMT2A | |
| SCHEMBL28489351 | 0.81 | CYP3A4 (0.53) | ALKBH5RAB9AALDH1A1CYP3A4KMT2A | |
| SCHEMBL28499806 | 0.81 | CYP3A4 (0.57) | ALKBH5RAB9AALDH1A1CYP3A4KMT2A | |
| SCHEMBL28494815 | 0.81 | RAB9A (0.47) | ALKBH5RAB9AALDH1A1KMT2AGLA | |
| SCHEMBL28494817 | 0.81 | ALKBH5 (0.46) | ALKBH5RAB9AALDH1A1KMT2AMAPT | |
| SCHEMBL28494826 | 0.80 | CYP3A4 (0.56) | ALKBH5RAB9AALDH1A1CYP3A4KMT2A | |
| SCHEMBL28493310 | 0.79 | RAB9A (0.53) | RAB9AALDH1A1CYP3A4KMT2AGLA |
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 |