Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458786 | 0.75 | CYP3A4 (0.50) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL27573296 | 0.75 | LMNA (0.47) | ALDH1A1HPGDLMNATP53THRB | |
| SCHEMBL27979450 | 0.75 | ALDH1A1 (0.56) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL11069740 | 0.75 | RAB9A (0.50) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL2639604 | 0.75 | NPC1 (0.54) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL9458623 | 0.74 | CYP3A4 (0.49) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL10389152 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL11339180 | 0.72 | MAPT (0.49) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL4448947 | 0.71 | HPGD (0.54) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL4448945 | 0.71 | HPGD (0.54) | ALDH1A1HPGDMAPTNPC1RAB9A |
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-104045573-B | The method of beta-amino carbonyl compound is prepared in cyclopentadienyl titanium dichloride and the concerted catalysis of aminophenols part | SHAANXI NORMAL UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-104045573-A | Method for preparing beta-amino carbonyl compound through synergetic catalysis of titanocene dichloride and aminophenol ligand | UNIV SHAANXI NORMAL | 2014-09-17 | — | — | CN | disclosed |