Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16573544 | 0.86 | TBXAS1 (0.56) | ALDH1A1PLOD2CYP3A4HPGDPLOD3 | |
| SCHEMBL6735760 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TBXAS1MAPTTDP1CYP19A1 | |
| SCHEMBL1424751 | 0.78 | CYP19A1 (0.47) | CYP3A4MEN1KMT2ATBXAS1MAPT | |
| SCHEMBL3157560 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TBXAS1TDP1FAAHMGLL | |
| SCHEMBL10613945 | 0.77 | CYP19A1 (0.47) | CYP3A4CYP1A2CYP2D6TBXAS1MAPT | |
| Bromide SCHEMBL6985997 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TBXAS1TDP1FAAHMGLL | |
| SCHEMBL19494252 | 0.75 | NPC1 (0.55) | ALDH1A1PLOD2CYP3A4HPGDPLOD3 | |
| SCHEMBL1260766 | 0.74 | TBXAS1 (0.50) | ALDH1A1CYP3A4CYP1A2CYP2D6TBXAS1 | |
| SCHEMBL1509735 | 0.73 | CYP19A1 (0.71) | ALDH1A1TBXAS1TDP1CYP19A1L3MBTL1 | |
| SCHEMBL27857452 | 0.73 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2D6MEN1KMT2A |
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-112778206-B | Preparation method and application of high-absorption chrome tanning auxiliary containing ketosulfonate structure | 南京工业大学 | 2023-01-17 | — | — | CN | claimed |
| CN-112778206-A | Preparation method and application of high-absorption chrome tanning auxiliary agent containing ketosulfonate structure | 南京工业大学 | 2021-05-11 | — | — | CN | claimed |
| CN-112778206-B | Preparation method and application of high-absorption chrome tanning auxiliary containing ketosulfonate structure | 南京工业大学 | 2023-01-17 | — | — | CN | disclosed |
| CN-112778206-A | Preparation method and application of high-absorption chrome tanning auxiliary agent containing ketosulfonate structure | 南京工业大学 | 2021-05-11 | — | — | CN | disclosed |