Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.85 |
| ▸ | MAPT | P10636 | 10/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.84 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.79 |
| ▸ | RAB9A | P51151 | 1/20 | 0.79 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 3/20 | 0.77 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.77 |
| ▸ | PLEC | Q15149 | 1/20 | 0.77 |
| ▸ | HPGD | P15428 | 3/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28637593 | 0.88 | ALDH1A1 (0.73) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28639448 | 0.86 | ALDH1A1 (0.83) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28923256 | 0.86 | ALDH1A1 (0.83) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28635758 | 0.85 | ALDH1A1 (1.00) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28641830 | 0.85 | SMN1; SMN2 (0.72) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28631363 | 0.82 | ALDH1A1 (0.77) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28631542 | 0.82 | ALDH1A1 (0.77) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL709774 | 0.80 | MAPT (0.64) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28630747 | 0.70 | MAPT (0.55) | TP53MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11253756 | 0.67 | MAPT (0.45) | TP53MAPTALDH1A1SMN1; SMN2KDM4E |
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 |