Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 8/20 | 0.90 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.80 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.80 |
| ▸ | PLEC | Q15149 | 1/20 | 0.80 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL742832 | 0.95 | MAPT (1.00) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28639448 | 0.88 | ALDH1A1 (0.83) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28923256 | 0.88 | ALDH1A1 (0.83) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28631542 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28641973 | 0.85 | TP53 (0.85) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28631363 | 0.84 | ALDH1A1 (0.77) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28641830 | 0.75 | SMN1; SMN2 (0.72) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28637593 | 0.75 | ALDH1A1 (0.73) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL28630747 | 0.70 | MAPT (0.55) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL11259763 | 0.69 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTKDM4ERAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109232357-B | Method for catalytically synthesizing 3-pyrroline-2-ketone in emulsion by titanocene dichloride in cooperation with Bronsted acid | 陕西师范大学 | 2021-10-01 | — | — | CN | disclosed |