Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.72 |
| ▸ | RAB9A | P51151 | 4/20 | 0.72 |
| ▸ | MEN1 | O00255 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | POLB | P06746 | 3/20 | 0.72 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.70 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.68 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.68 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.67 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | CES1 | P23141 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL18103163 | 0.90 | NPC1 (0.88) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL14715824 | 0.90 | NPC1 (0.88) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL26953087 | 0.88 | PTPN1 (0.88) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL126415 | 0.88 | PTPN1 (0.87) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL18114043 | 0.87 | NPC1 (0.66) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL3066613 | 0.87 | KMT2A (0.66) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL9696775 | 0.87 | CACNA1B (0.67) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL6927758 | 0.86 | NR4A2 (0.67) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL14715847 | 0.86 | PTPN1 (0.84) | NPC1KMT2ARAB9AMEN1KDM4E | |
| SCHEMBL2831786 | 0.85 | NPC1 (0.72) | NPC1KMT2ARAB9AMEN1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761844-B | Method for preparing 1- (4-benzoylamino-phenyl) -3-phenylpropane-1, 3-diketone by one-pot method | 常州南京大学高新技术研究院 | 2021-11-09 | — | — | CN | claimed |
| CN-109748823-B | Preparation method of 1- (4-amino-phenyl) -3-phenyl-propane-1, 3-diketone | 常州南京大学高新技术研究院 | 2021-11-23 | — | — | CN | disclosed |
| CN-109761844-B | Method for preparing 1- (4-benzoylamino-phenyl) -3-phenylpropane-1, 3-diketone by one-pot method | 常州南京大学高新技术研究院 | 2021-11-09 | — | — | CN | disclosed |
| CN-109748823-A | A kind of preparation method of 1- (4- amino-phenyl) -3- phenyl-propan -1,3- diketone | 常州南京大学高新技术研究院 | 2019-05-14 | — | — | CN | disclosed |