Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CNR2 | P34972 | 8/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9147 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL14167546 | 0.94 | CNR2 (0.53) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL28629103 | 0.91 | ALDH1A1 (0.48) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL29377204 | 0.84 | UBE2T (0.51) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL676085 | 0.84 | UBE2T (0.51) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL3941056 | 0.83 | UBE2T (0.50) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL29951531 | 0.83 | UBE2T (0.50) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL29951844 | 0.83 | UBE2T (0.50) | ALDH1A1CNR2HPGDHSD17B10MAPT | |
| SCHEMBL2562848 | 0.80 | HTR3A (0.47) | ALDH1A1KDM4ECYP1A2SMN1; SMN2KMT2A | |
| SCHEMBL723901 | 0.80 | PLD1 (0.49) | ALDH1A1HPGDHSD17B10KDM4ECYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232090-A | 6-substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2,2-dioxide compound and preparation and application thereof | 杭州市第七人民医院 | 2022-10-25 | — | — | CN | claimed |
| CN-116162087-B | HPK 1 and/or LCK kinase regulator, preparation method and application thereof | 杭州医学院 | 2024-07-23 | — | — | CN | disclosed |
| EP-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| EP-4255906-A1 | NEW INDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2023-10-11 | — | — | EP | disclosed |
| CN-115232090-A | 6-substituted dihydrobenzo [ e ] [1,2,3] oxathiazine 2,2-dioxide compound and preparation and application thereof | 杭州市第七人民医院 | 2022-10-25 | — | — | CN | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022117487-A1 | NEW INDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-09 | — | — | WO | disclosed |